6-methoxy-2-methyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinolin-1-ium

Systemtic Name: 6-methoxy-2-methyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinolin-1-ium Openeye Name: 6-methoxy-2-methyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinolin-1-ium CAS Name: 6-methoxy-2-methyl-4-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]quinolin-1-ium IUPAC Name: 6-methoxy-2-methyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]quinolin-1-ium Traditional Name: 6-methoxy-2-methyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]quinolin-1-ium Formula: C21H23F3N4O+2 MolecularWeight: 404.42873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=C(C=C2)OC)C(=C1)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=[NH+]C2=C(C=C(C=C2)OC)C(=C1)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O/c1-14-11-19(17-12-16(29-2)4-5-18(17)26-14)27-7-9-28(10-8-27)20-6-3-15(13-25-20)21(22,23)24/h3-6,11-13H,7-10H2,1-2H3/p+2