4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate

Systemtic Name: 4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Openeye Name: 4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate CAS Name: 4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoate IUPAC Name: 4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H18N2O4S/c1-10-3-4-11(13(16)17)9-12(10)20(18,19)15-7-5-14(2)6-8-15/h3-4,9H,5-8H2,1-2H3,(H,16,17)