4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium

Systemtic Name: 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium Openeye Name: 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium CAS Name: 4-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-(trifluoromethyl)quinolin-1-ium IUPAC Name: 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinolin-1-ium Traditional Name: 4-[4-(4-methoxyphenyl)sulfonylpiperazino]-2-(trifluoromethyl)quinolin-1-ium Formula: C21H21F3N3O3S+ MolecularWeight: 452.46995

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=[NH+]C4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=[NH+]C4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3S/c1-30-15-6-8-16(9-7-15)31(28,29)27-12-10-26(11-13-27)19-14-20(21(22,23)24)25-18-5-3-2-4-17(18)19/h2-9,14H,10-13H2,1H3/p+1