2-methoxy-N-[2-[1-(phenylmethyl)pyridin-1-ium-4-yl]ethyl]pyridine-3-carboxamide bromide

Systemtic Name: 2-methoxy-N-[2-[1-(phenylmethyl)pyridin-1-ium-4-yl]ethyl]pyridine-3-carboxamide bromide Openeye Name: N-[2-(1-benzylpyridin-1-ium-4-yl)ethyl]-2-methoxy-pyridine-3-carboxamide bromide CAS Name: 2-methoxy-N-[2-[1-(phenylmethyl)-4-pyridin-1-iumyl]ethyl]-3-pyridinecarboxamide bromide IUPAC Name: N-[2-(1-benzylpyridin-1-ium-4-yl)ethyl]-2-methoxypyridine-3-carboxamide bromide Traditional Name: N-[2-(1-benzylpyridin-1-ium-4-yl)ethyl]-2-methoxy-nicotinamide bromide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)C(=O)NCCC2=CC=[N+](C=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

COC1=C(C=CC=N1)C(=O)NCCC2=CC=[N+](C=C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H21N3O2.BrH/c1-26-21-19(8-5-12-23-21)20(25)22-13-9-17-10-14-24(15-11-17)16-18-6-3-2-4-7-18;/h2-8,10-12,14-15H,9,13,16H2,1H3;1H