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

Systemtic Name: 2-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[4-[2-(4-bromophenyl)sulfonylethyl]-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(2-brosylethyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidino]ethanone Formula: C20H31BrN3O3S+ MolecularWeight: 473.44744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)CCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)CCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H30BrN3O3S/c1-17-4-2-3-9-24(17)20(25)16-23-12-10-22(11-13-23)14-15-28(26,27)19-7-5-18(21)6-8-19/h5-8,17H,2-4,9-16H2,1H3/p+1/t17-/m0/s1