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

Systemtic Name: 2-methylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]nicotinamide Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C19H23N3OS/c1-24-19-17(5-4-10-20-19)18(23)21-13-15-6-8-16(9-7-15)14-22-11-2-3-12-22/h4-10H,2-3,11-14H2,1H3,(H,21,23)/p+1