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

Systemtic Name: 4,6-diphenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 4,6-diphenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile CAS Name: 4,6-diphenyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-diphenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Traditional Name: 4,6-diphenyl-2-(2-piperidin-1-ium-1-ylethylthio)nicotinonitrile Formula: C25H26N3S+ MolecularWeight: 400.55904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H25N3S/c26-19-23-22(20-10-4-1-5-11-20)18-24(21-12-6-2-7-13-21)27-25(23)29-17-16-28-14-8-3-9-15-28/h1-2,4-7,10-13,18H,3,8-9,14-17H2/p+1