6-methyl-4-(4-pyrrol-1-ylpiperidin-1-yl)-2-(trifluoromethyl)quinolin-1-ium

Systemtic Name: 6-methyl-4-(4-pyrrol-1-ylpiperidin-1-yl)-2-(trifluoromethyl)quinolin-1-ium Openeye Name: 6-methyl-4-(4-pyrrol-1-yl-1-piperidyl)-2-(trifluoromethyl)quinolin-1-ium CAS Name: 6-methyl-4-[4-(1-pyrrolyl)-1-piperidinyl]-2-(trifluoromethyl)quinolin-1-ium IUPAC Name: 6-methyl-4-(4-pyrrol-1-ylpiperidin-1-yl)-2-(trifluoromethyl)quinolin-1-ium Traditional Name: 6-methyl-4-(4-pyrrol-1-ylpiperidino)-2-(trifluoromethyl)quinolin-1-ium Formula: C20H21F3N3+ MolecularWeight: 360.39605

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(C=C2N3CCC(CC3)N4C=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C=C2N3CCC(CC3)N4C=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H20F3N3/c1-14-4-5-17-16(12-14)18(13-19(24-17)20(21,22)23)26-10-6-15(7-11-26)25-8-2-3-9-25/h2-5,8-9,12-13,15H,6-7,10-11H2,1H3/p+1