bis(3-azanylpropyl)-[[3-[[1-[[4-[4-[[2-[[5-[[bis(3-azanylpropyl)-methyl-azaniumyl]methyl]-2-methoxy-phenyl]diazenyl]-3-oxidanylidene-butanoyl]amino]-3-methyl-phenyl]-2-methyl-phenyl]amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]-4-methoxy-phenyl]methyl]-methyl-azanium dichloride

Systemtic Name: bis(3-azanylpropyl)-[[3-[[1-[[4-[4-[[2-[[5-[[bis(3-azanylpropyl)-methyl-azaniumyl]methyl]-2-methoxy-phenyl]diazenyl]-3-oxidanylidene-butanoyl]amino]-3-methyl-phenyl]-2-methyl-phenyl]amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]-4-methoxy-phenyl]methyl]-methyl-azanium dichloride Openeye Name: bis(3-aminopropyl)-[[3-[1-[[4-[4-[[2-[5-[[bis(3-aminopropyl)-methyl-ammonio]methyl]-2-methoxy-phenyl]azo-3-oxo-butanoyl]amino]-3-methyl-phenyl]-2-methyl-phenyl]carbamoyl]-2-oxo-propyl]azo-4-methoxy-phenyl]methyl]-methyl-ammonium dichloride CAS Name: bis(3-aminopropyl)-[[3-[1-[4-[4-[[2-[5-[[bis(3-aminopropyl)-methylammonio]methyl]-2-methoxyphenyl]azo-1,3-dioxobutyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]azo-4-methoxyphenyl]methyl]-methylammonium dichloride IUPAC Name: bis(3-aminopropyl)-[[3-[[1-[4-[4-[[2-[[5-[[bis(3-aminopropyl)-methylazaniumyl]methyl]-2-methoxyphenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-methoxyphenyl]methyl]-methylazanium dichloride Traditional Name: bis(3-aminopropyl)-[3-[1-[[4-[4-[[2-[5-[[bis(3-aminopropyl)-methyl-ammonio]methyl]-2-methoxy-phenyl]azo-3-keto-butanoyl]amino]-3-methyl-phenyl]-2-methyl-phenyl]carbamoyl]-2-keto-propyl]azo-4-methoxy-benzyl]-methyl-ammonium dichloride Formula: C52H76Cl2N12O6 MolecularWeight: 1036.14264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=CC(=C3)C[N+](C)(CCCN)CCCN)OC)C)NC(=O)C(C(=O)C)N=NC4=C(C=CC(=C4)C[N+](C)(CCCN)CCCN)OC.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=CC(=C3)C[N+](C)(CCCN)CCCN)OC)C)NC(=O)C(C(=O)C)N=NC4=C(C=CC(=C4)C[N+](C)(CCCN)CCCN)OC.[Cl-].[Cl-]

InChI

InChI=1S/C52H74N12O6.2ClH/c1-35-29-41(15-17-43(35)57-51(67)49(37(3)65)61-59-45-31-39(13-19-47(45)69-7)33-63(5,25-9-21-53)26-10-22-54)42-16-18-44(36(2)30-42)58-52(68)50(38(4)66)62-60-46-32-40(14-20-48(46)70-8)34-64(6,27-11-23-55)28-12-24-56;;/h13-20,29-32,49-50H,9-12,21-28,33-34,53-56H2,1-8H3;2*1H