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

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-pyridinecarboxamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-4-carboxamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]isonicotinamide Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC=NC=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H21N3O/c22-18(15-7-9-19-10-8-15)20-13-16-5-1-2-6-17(16)14-21-11-3-4-12-21/h1-2,5-10H,3-4,11-14H2,(H,20,22)/p+1