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

Systemtic Name: N-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenyl-cyclopropane-1-carboxamide Openeye Name: N-[2-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenyl-cyclopropanecarboxamide CAS Name: N-[2-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenyl-1-cyclopropanecarboxamide IUPAC Name: N-[2-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide Traditional Name: N-[2-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenyl-cyclopropanecarboxamide Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3(CC3)C4=CC=CC=C4)C(=O)C5=CC=[N+](C=C5)[O-]

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3(CC3)C4=CC=CC=C4)C(=O)C5=CC=[N+](C=C5)[O-]

InChI

InChI=1S/C25H23N3O3/c29-23(19-9-14-28(31)15-10-19)27-13-8-18-6-7-22(16-20(18)17-27)26-24(30)25(11-12-25)21-4-2-1-3-5-21/h1-7,9-10,14-16H,8,11-13,17H2,(H,26,30)