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

Systemtic Name: 6-(4-chlorophenyl)-2-phenyl-4-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 6-(4-chlorophenyl)-2-phenyl-4-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile CAS Name: 6-(4-chlorophenyl)-2-phenyl-4-[2-(1-piperidin-1-iumyl)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 6-(4-chlorophenyl)-2-phenyl-4-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Traditional Name: 6-(4-chlorophenyl)-2-phenyl-4-(2-piperidin-1-ium-1-ylethylthio)nicotinonitrile Formula: C25H25ClN3S+ MolecularWeight: 435.0041

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=CC(=NC(=C2C#N)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=CC(=NC(=C2C#N)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H24ClN3S/c26-21-11-9-19(10-12-21)23-17-24(30-16-15-29-13-5-2-6-14-29)22(18-27)25(28-23)20-7-3-1-4-8-20/h1,3-4,7-12,17H,2,5-6,13-16H2/p+1