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

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-tosylpiperazin-1-ium-1-yl)ethanone Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C22H27N3O3S/c1-18-8-10-20(11-9-18)29(27,28)24-15-13-23(14-16-24)17-22(26)25-12-4-6-19-5-2-3-7-21(19)25/h2-3,5,7-11H,4,6,12-17H2,1H3/p+1