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

Systemtic Name: 6-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 6-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile CAS Name: 6-phenyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 6-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Traditional Name: 6-phenyl-2-(2-piperidin-1-ium-1-ylethylthio)nicotinonitrile Formula: C19H22N3S+ MolecularWeight: 324.46308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H21N3S/c20-15-17-9-10-18(16-7-3-1-4-8-16)21-19(17)23-14-13-22-11-5-2-6-12-22/h1,3-4,7-10H,2,5-6,11-14H2/p+1