[2-(3-azanylpropyl)-1-oxidanidyl-6-(trifluoromethyl)indazol-1-ium-3-yl]-(4-methylphenyl)methanone

Systemtic Name: [2-(3-azanylpropyl)-1-oxidanidyl-6-(trifluoromethyl)indazol-1-ium-3-yl]-(4-methylphenyl)methanone Openeye Name: [2-(3-aminopropyl)-1-oxido-6-(trifluoromethyl)indazol-1-ium-3-yl]-(p-tolyl)methanone CAS Name: [2-(3-aminopropyl)-1-oxido-6-(trifluoromethyl)-3-indazol-1-iumyl]-(4-methylphenyl)methanone IUPAC Name: [2-(3-aminopropyl)-1-oxido-6-(trifluoromethyl)indazol-1-ium-3-yl]-(4-methylphenyl)methanone Traditional Name: [2-(3-aminopropyl)-1-oxido-6-(trifluoromethyl)indazol-1-ium-3-yl]-(p-tolyl)methanone Formula: C19H18F3N3O2 MolecularWeight: 377.36033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCCN)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCCN)[O-])C(F)(F)F

InChI

InChI=1S/C19H18F3N3O2/c1-12-3-5-13(6-4-12)18(26)17-15-8-7-14(19(20,21)22)11-16(15)25(27)24(17)10-2-9-23/h3-8,11H,2,9-10,23H2,1H3