2-chloranyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-chloranyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide CAS Name: 2-chloro-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]nicotinamide Formula: C16H18ClN4O+ MolecularWeight: 317.79332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C16H17ClN4O/c17-15-13(4-3-7-18-15)16(22)20-11-12-5-6-14(19-10-12)21-8-1-2-9-21/h3-7,10H,1-2,8-9,11H2,(H,20,22)/p+1