2-(4-chlorophenyl)sulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3-carboxamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-chlorophenyl)sulfanyl-pyridine-3-carboxamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyridinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(4-chlorophenyl)thio]nicotinamide Formula: C24H25ClN3OS+ MolecularWeight: 438.9928

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H24ClN3OS/c25-19-8-10-21(11-9-19)30-24-22(7-4-14-26-24)23(29)27-20-12-15-28(16-13-20)17-18-5-2-1-3-6-18/h1-11,14,20H,12-13,15-17H2,(H,27,29)/p+1