2-[[3-[(4-methoxyphenyl)methylcarbamoyl]-6-(4-methylsulfanylphenyl)pyridin-1-ium-2-yl]-methyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-[(4-methoxyphenyl)methylcarbamoyl]-6-(4-methylsulfanylphenyl)pyridin-1-ium-2-yl]-methyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[(4-methoxyphenyl)methylcarbamoyl]-6-(4-methylsulfanylphenyl)pyridin-1-ium-2-yl]-methyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-[[(4-methoxyphenyl)methylamino]-oxomethyl]-6-[4-(methylthio)phenyl]-2-pyridin-1-iumyl]-methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[(4-methoxyphenyl)methylcarbamoyl]-6-(4-methylsulfanylphenyl)pyridin-1-ium-2-yl]-methylamino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[methyl-[6-[4-(methylthio)phenyl]-3-(p-anisylcarbamoyl)pyridin-1-ium-2-yl]amino]ethyl]ammonium Formula: C26H34N4O2S+2 MolecularWeight: 466.63876

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C)C1=C(C=CC(=[NH+]1)C2=CC=C(C=C2)SC)C(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)CCN(C)C1=C(C=CC(=[NH+]1)C2=CC=C(C=C2)SC)C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H32N4O2S/c1-29(2)16-17-30(3)25-23(26(31)27-18-19-6-10-21(32-4)11-7-19)14-15-24(28-25)20-8-12-22(33-5)13-9-20/h6-15H,16-18H2,1-5H3,(H,27,31)/p+2