2-phenylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-phenylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-phenylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-(phenylthio)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-phenylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]nicotinamide Formula: C24H26N3OS+ MolecularWeight: 404.54774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

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