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

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(phenylthio)nicotinamide Formula: C24H26N3OS+ MolecularWeight: 404.54774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3OS/c28-23(22-12-7-15-25-24(22)29-21-10-5-2-6-11-21)26-20-13-16-27(17-14-20)18-19-8-3-1-4-9-19/h1-12,15,20H,13-14,16-18H2,(H,26,28)/p+1