[4-(acridin-9-ylamino)-3-methoxy-phenyl]-[6-[[4-(acridin-9-ylamino)-3-methoxy-phenyl]azaniumyl]sulfonylhexylsulfonyl]azanium dichloride

Systemtic Name: [4-(acridin-9-ylamino)-3-methoxy-phenyl]-[6-[[4-(acridin-9-ylamino)-3-methoxy-phenyl]azaniumyl]sulfonylhexylsulfonyl]azanium dichloride Openeye Name: [4-(acridin-9-ylamino)-3-methoxy-phenyl]-[6-[[4-(acridin-9-ylamino)-3-methoxy-phenyl]ammonio]sulfonylhexylsulfonyl]ammonium dichloride CAS Name: [4-(9-acridinylamino)-3-methoxyphenyl]-[6-[[4-(9-acridinylamino)-3-methoxyphenyl]ammonio]sulfonylhexylsulfonyl]ammonium dichloride IUPAC Name: [4-(acridin-9-ylamino)-3-methoxyphenyl]-[6-[[4-(acridin-9-ylamino)-3-methoxyphenyl]azaniumyl]sulfonylhexylsulfonyl]azanium dichloride Traditional Name: [4-(acridin-9-ylamino)-3-methoxy-phenyl]-[6-[[4-(acridin-9-ylamino)-3-methoxy-phenyl]ammonio]sulfonylhexylsulfonyl]ammonium dichloride Formula: C46H46Cl2N6O6S2 MolecularWeight: 913.93004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[NH2+]S(=O)(=O)CCCCCCS(=O)(=O)[NH2+]C2=CC(=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)OC)NC6=C7C=CC=CC7=NC8=CC=CC=C86.[Cl-].[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)[NH2+]S(=O)(=O)CCCCCCS(=O)(=O)[NH2+]C2=CC(=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)OC)NC6=C7C=CC=CC7=NC8=CC=CC=C86.[Cl-].[Cl-]

InChI

InChI=1S/C46H44N6O6S2.2ClH/c1-57-43-29-31(23-25-41(43)49-45-33-15-5-9-19-37(33)47-38-20-10-6-16-34(38)45)51-59(53,54)27-13-3-4-14-28-60(55,56)52-32-24-26-42(44(30-32)58-2)50-46-35-17-7-11-21-39(35)48-40-22-12-8-18-36(40)46;;/h5-12,15-26,29-30,51-52H,3-4,13-14,27-28H2,1-2H3,(H,47,49)(H,48,50);2*1H