(2,5-dimethylphenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate

Systemtic Name: (2,5-dimethylphenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: (2,5-dimethylphenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoic acid (2,5-dimethylphenyl) ester Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H24N2O4S/c1-15-7-8-16(2)19(13-15)26-20(23)17-5-4-6-18(14-17)27(24,25)22-11-9-21(3)10-12-22/h4-8,13-14H,9-12H2,1-3H3/p+1