1-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyrrole-2-carboxylate

Systemtic Name: 1-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyrrole-2-carboxylate Openeye Name: 1-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyrrolecarboxylate IUPAC Name: 1-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyrrole-2-carboxylate Formula: C11H17N3O4S MolecularWeight: 287.33538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O4S/c1-12-3-5-14(6-4-12)19(17,18)9-7-10(11(15)16)13(2)8-9/h7-8H,3-6H2,1-2H3,(H,15,16)