2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H27N3O3S/c1-16-7-5-6-10-20(16)15-18(22)19-11-13-21(14-12-19)25(23,24)17-8-3-2-4-9-17/h2-4,8-9,16H,5-7,10-15H2,1H3/p+1/t16-/m0/s1