1-methyl-4-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-3-(phenylsulfonyl)propyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-3-(phenylsulfonyl)propyl]piperazin-1-ium Openeye Name: 1-[(2R)-3-(benzenesulfonyl)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(2R)-3-(benzenesulfonyl)-2-(4-methyl-1-piperazin-4-iumyl)propyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(2R)-3-(benzenesulfonyl)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-4-methylpiperazin-4-ium Traditional Name: 1-[(2R)-3-besyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]-4-methyl-piperazin-4-ium Formula: C19H34N4O2S+2 MolecularWeight: 382.56386

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(CS(=O)(=O)C2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H](CS(=O)(=O)C2=CC=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H32N4O2S/c1-20-8-12-22(13-9-20)16-18(23-14-10-21(2)11-15-23)17-26(24,25)19-6-4-3-5-7-19/h3-7,18H,8-17H2,1-2H3/p+2/t18-/m1/s1