4-(4-methoxyphenyl)butyl-[2-[2-[4-(4-methoxyphenyl)butylazaniumyl]ethyldisulfanyl]ethyl]azanium dichloride

Systemtic Name: 4-(4-methoxyphenyl)butyl-[2-[2-[4-(4-methoxyphenyl)butylazaniumyl]ethyldisulfanyl]ethyl]azanium dichloride Openeye Name: 4-(4-methoxyphenyl)butyl-[2-[2-[4-(4-methoxyphenyl)butylammonio]ethyldisulfanyl]ethyl]ammonium dichloride CAS Name: 4-(4-methoxyphenyl)butyl-[2-[2-[4-(4-methoxyphenyl)butylammonio]ethyldisulfanyl]ethyl]ammonium dichloride IUPAC Name: 4-(4-methoxyphenyl)butyl-[2-[2-[4-(4-methoxyphenyl)butylazaniumyl]ethyldisulfanyl]ethyl]azanium dichloride Traditional Name: 4-(4-methoxyphenyl)butyl-[2-[2-[4-(4-methoxyphenyl)butylammonio]ethyldisulfanyl]ethyl]ammonium dichloride Formula: C26H42Cl2N2O2S2 MolecularWeight: 549.65988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCC[NH2+]CCSSCC[NH2+]CCCCC2=CC=C(C=C2)OC.[Cl-].[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)CCCC[NH2+]CCSSCC[NH2+]CCCCC2=CC=C(C=C2)OC.[Cl-].[Cl-]

InChI

InChI=1S/C26H40N2O2S2.2ClH/c1-29-25-13-9-23(10-14-25)7-3-5-17-27-19-21-31-32-22-20-28-18-6-4-8-24-11-15-26(30-2)16-12-24;;/h9-16,27-28H,3-8,17-22H2,1-2H3;2*1H