7-methyl-1-oxidanidyl-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-1-ium-5-ol

Systemtic Name: 7-methyl-1-oxidanidyl-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-1-ium-5-ol Openeye Name: 7-methyl-1-oxido-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-1-ium-5-ol CAS Name: 7-methyl-1-oxido-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-1-ium-5-ol IUPAC Name: 7-methyl-1-oxido-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-1-ium-5-ol Traditional Name: 7-methyl-1-oxido-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-1-ium-5-ol Formula: C16H15F3N2O2 MolecularWeight: 324.29771

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC(=N[N+](=C2C1)[O-])C3=CC(=CC=C3)C(F)(F)F)O

Isomeric SMILES

CC1CC(C2=CC(=N[N+](=C2C1)[O-])C3=CC(=CC=C3)C(F)(F)F)O

InChI

InChI=1S/C16H15F3N2O2/c1-9-5-14-12(15(22)6-9)8-13(20-21(14)23)10-3-2-4-11(7-10)16(17,18)19/h2-4,7-9,15,22H,5-6H2,1H3