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

Systemtic Name: (3,5-dimethoxyphenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: (3,5-dimethoxyphenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid (3,5-dimethoxyphenyl) ester IUPAC Name: (3,5-dimethoxyphenyl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoic acid (3,5-dimethoxyphenyl) ester Formula: C20H25N2O6S+ MolecularWeight: 421.4873

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C20H24N2O6S/c1-21-7-9-22(10-8-21)29(24,25)19-6-4-5-15(11-19)20(23)28-18-13-16(26-2)12-17(14-18)27-3/h4-6,11-14H,7-10H2,1-3H3/p+1