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

Systemtic Name: 5-bromanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]nicotinamide Formula: C18H21BrN3O+ MolecularWeight: 375.28284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O/c19-17-9-16(10-20-12-17)18(23)21-11-14-5-1-2-6-15(14)13-22-7-3-4-8-22/h1-2,5-6,9-10,12H,3-4,7-8,11,13H2,(H,21,23)/p+1