6-(4-ethoxyphenyl)-4-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-ethoxyphenyl)-4-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 6-(4-ethoxyphenyl)-4-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile CAS Name: 6-(4-ethoxyphenyl)-4-phenyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 6-(4-ethoxyphenyl)-4-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Traditional Name: 4-phenyl-2-(2-piperidin-1-ium-1-ylethylthio)-6-p-phenetyl-nicotinonitrile Formula: C27H30N3OS+ MolecularWeight: 444.6116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC[NH+]4CCCCC4

InChI

InChI=1S/C27H29N3OS/c1-2-31-23-13-11-22(12-14-23)26-19-24(21-9-5-3-6-10-21)25(20-28)27(29-26)32-18-17-30-15-7-4-8-16-30/h3,5-6,9-14,19H,2,4,7-8,15-18H2,1H3/p+1