4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 4-(4-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyridine-3-carbonitrile Traditional Name: 4-(4-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylthio)-6-(p-tolyl)nicotinonitrile Formula: C26H28N3O2S+ MolecularWeight: 446.58442

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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)C#N)SCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)OC)C#N)SCC[NH+]4CCOCC4

InChI

InChI=1S/C26H27N3O2S/c1-19-3-5-21(6-4-19)25-17-23(20-7-9-22(30-2)10-8-20)24(18-27)26(28-25)32-16-13-29-11-14-31-15-12-29/h3-10,17H,11-16H2,1-2H3/p+1