N-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide

Systemtic Name: N-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide Openeye Name: N-[2-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide CAS Name: N-[2-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-pyridinecarboxamide IUPAC Name: N-[2-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide Traditional Name: N-[2-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]picolinamide Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=N3)C(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=N3)C(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C21H18N4O3/c26-20(19-3-1-2-9-22-19)23-18-5-4-15-6-10-24(14-17(15)13-18)21(27)16-7-11-25(28)12-8-16/h1-5,7-9,11-13H,6,10,14H2,(H,23,26)