2-[(3S)-3-methylpiperidin-1-yl]-8-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-1-ium

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-yl]-8-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-1-ium Openeye Name: 2-[(3S)-3-methyl-1-piperidyl]-8-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-1-ium CAS Name: 2-[(3S)-3-methyl-1-piperidinyl]-8-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-1-ium IUPAC Name: 2-[(3S)-3-methylpiperidin-1-yl]-8-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-1-ium Traditional Name: 2-[(3S)-3-methylpiperidino]-8-[4-(trifluoromethyl)benzyl]oxy-quinolin-1-ium Formula: C23H24F3N2O+ MolecularWeight: 401.44467

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=[NH+]C3=C(C=CC=C3OCC4=CC=C(C=C4)C(F)(F)F)C=C2

Isomeric SMILES

C[C@H]1CCCN(C1)C2=[NH+]C3=C(C=CC=C3OCC4=CC=C(C=C4)C(F)(F)F)C=C2

InChI

InChI=1S/C23H23F3N2O/c1-16-4-3-13-28(14-16)21-12-9-18-5-2-6-20(22(18)27-21)29-15-17-7-10-19(11-8-17)23(24,25)26/h2,5-12,16H,3-4,13-15H2,1H3/p+1/t16-/m0/s1