1-(8-fluoranyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone

Systemtic Name: 1-(8-fluoranyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone Openeye Name: 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]ethanone CAS Name: 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone IUPAC Name: 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone Traditional Name: 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)ethanone Formula: C23H29FN3O3S+ MolecularWeight: 446.558063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N3CCCC4=C3C(=CC=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N3CCCC4=C3C(=CC=C4)F

InChI

InChI=1S/C23H28FN3O3S/c1-18-8-10-20(11-9-18)31(29,30)26-13-4-12-25(15-16-26)17-22(28)27-14-3-6-19-5-2-7-21(24)23(19)27/h2,5,7-11H,3-4,6,12-17H2,1H3/p+1