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

Systemtic Name: 2-methoxy-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-methoxy-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide CAS Name: 2-methoxy-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-methoxy-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-methoxy-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]nicotinamide Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3

Isomeric SMILES

COC1=C(C=CC=N1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3

InChI

InChI=1S/C17H20N4O2/c1-23-17-14(5-4-8-18-17)16(22)20-12-13-6-7-15(19-11-13)21-9-2-3-10-21/h4-8,11H,2-3,9-10,12H2,1H3,(H,20,22)/p+1