(2-methylphenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate

Systemtic Name: (2-methylphenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: o-tolyl 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoic acid o-tolyl ester Formula: C19H23N2O4S+ MolecularWeight: 375.46192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H22N2O4S/c1-15-6-3-4-9-18(15)25-19(22)16-7-5-8-17(14-16)26(23,24)21-12-10-20(2)11-13-21/h3-9,14H,10-13H2,1-2H3/p+1