methyl 4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate

Systemtic Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoic acid methyl ester Formula: C13H19N2O4S+ MolecularWeight: 299.36596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c1-14-7-9-15(10-8-14)20(17,18)12-5-3-11(4-6-12)13(16)19-2/h3-6H,7-10H2,1-2H3/p+1