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

Systemtic Name: 4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Openeye Name: 4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate CAS Name: 4-methoxy-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoate IUPAC Name: 4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 4-methoxy-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5S/c1-14-5-7-15(8-6-14)21(18,19)12-9-10(13(16)17)3-4-11(12)20-2/h3-4,9H,5-8H2,1-2H3,(H,16,17)