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

Systemtic Name: 1-methyl-4-[(2R)-3-(4-methylphenyl)sulfonyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]piperazin-1-ium Openeye Name: 1-methyl-4-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-3-(p-tolylsulfonyl)propyl]piperazin-1-ium CAS Name: 1-methyl-4-[(2R)-3-(4-methylphenyl)sulfonyl-2-(4-methyl-1-piperazin-4-iumyl)propyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[(2R)-3-(4-methylphenyl)sulfonyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]piperazin-1-ium Traditional Name: 1-methyl-4-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-3-tosyl-propyl]piperazin-1-ium Formula: C20H36N4O2S+2 MolecularWeight: 396.59044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(CN2CC[NH+](CC2)C)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[C@@H](CN2CC[NH+](CC2)C)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H34N4O2S/c1-18-4-6-20(7-5-18)27(25,26)17-19(24-14-10-22(3)11-15-24)16-23-12-8-21(2)9-13-23/h4-7,19H,8-17H2,1-3H3/p+2/t19-/m1/s1