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

Systemtic Name: N-[2-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[2-(1-oxidopyridin-1-ium-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[2-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[2-(1-oxidopyridin-1-ium-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[2-(1-oxidopyridin-1-ium-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Formula: C23H18F3N3O3 MolecularWeight: 441.40253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18F3N3O3/c24-23(25,26)19-6-3-16(4-7-19)21(30)27-20-8-5-15-9-11-28(13-18(15)12-20)22(31)17-2-1-10-29(32)14-17/h1-8,10,12,14H,9,11,13H2,(H,27,30)