4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-[2-(1-piperidin-1-iumyl)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(2-piperidin-1-ium-1-ylethylthio)-6-(p-tolyl)nicotinonitrile Formula: C28H32N3O2S+ MolecularWeight: 474.63758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C=C3)OC)OC)C#N)SCC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C=C3)OC)OC)C#N)SCC[NH+]4CCCCC4

InChI

InChI=1S/C28H31N3O2S/c1-20-7-9-21(10-8-20)25-18-23(22-11-12-26(32-2)27(17-22)33-3)24(19-29)28(30-25)34-16-15-31-13-5-4-6-14-31/h7-12,17-18H,4-6,13-16H2,1-3H3/p+1