2-[4-[1-[dimethyl-(phenylmethyl)azaniumyl]propan-2-yl]phenyl]propyl-dimethyl-(phenylmethyl)azanium dichloride

Systemtic Name: 2-[4-[1-[dimethyl-(phenylmethyl)azaniumyl]propan-2-yl]phenyl]propyl-dimethyl-(phenylmethyl)azanium dichloride Openeye Name: benzyl-[2-[4-[2-[benzyl(dimethyl)ammonio]-1-methyl-ethyl]phenyl]propyl]-dimethyl-ammonium dichloride CAS Name: 2-[4-[1-[dimethyl-(phenylmethyl)ammonio]propan-2-yl]phenyl]propyl-dimethyl-(phenylmethyl)ammonium dichloride IUPAC Name: benzyl-[2-[4-[1-[benzyl(dimethyl)azaniumyl]propan-2-yl]phenyl]propyl]-dimethylazanium dichloride Traditional Name: benzyl-[2-[4-[2-[benzyl(dimethyl)ammonio]-1-methyl-ethyl]phenyl]propyl]-dimethyl-ammonium dichloride Formula: C30H42Cl2N2 MolecularWeight: 501.57388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](C)(C)CC1=CC=CC=C1)C2=CC=C(C=C2)C(C)C[N+](C)(C)CC3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CC(C[N+](C)(C)CC1=CC=CC=C1)C2=CC=C(C=C2)C(C)C[N+](C)(C)CC3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C30H42N2.2ClH/c1-25(21-31(3,4)23-27-13-9-7-10-14-27)29-17-19-30(20-18-29)26(2)22-32(5,6)24-28-15-11-8-12-16-28;;/h7-20,25-26H,21-24H2,1-6H3;2*1H/q+2;;/p-2