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

Systemtic Name: 1,3-benzodioxol-5-yl 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: 1,3-benzodioxol-5-yl 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoic acid 1,3-benzodioxol-5-yl ester Formula: C19H21N2O6S+ MolecularWeight: 405.44484

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N2O6S/c1-20-7-9-21(10-8-20)28(23,24)16-4-2-3-14(11-16)19(22)27-15-5-6-17-18(12-15)26-13-25-17/h2-6,11-12H,7-10,13H2,1H3/p+1