1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C21H25FN3O3S+ MolecularWeight: 418.504903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN3O3S/c22-18-7-9-19(10-8-18)29(27,28)24-14-12-23(13-15-24)16-21(26)25-11-3-5-17-4-1-2-6-20(17)25/h1-2,4,6-10H,3,5,11-16H2/p+1