1-(azepan-1-yl)-2-[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-ium-1-yl]ethanone Formula: C23H35N4O4S+ MolecularWeight: 463.6134

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H34N4O4S/c1-32(30,31)27-12-6-7-19-17-20(8-9-21(19)27)23(29)26-15-13-24(14-16-26)18-22(28)25-10-4-2-3-5-11-25/h8-9,17H,2-7,10-16,18H2,1H3/p+1