methyl 1-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyrrole-2-carboxylate

Systemtic Name: methyl 1-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyrrole-2-carboxylate Openeye Name: methyl 1-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyrrole-2-carboxylic acid methyl ester Formula: C12H20N3O4S+ MolecularWeight: 302.3699

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(N2C)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(N2C)C(=O)OC

InChI

InChI=1S/C12H19N3O4S/c1-13-6-8-15(9-7-13)20(17,18)11-5-4-10(14(11)2)12(16)19-3/h4-5H,6-9H2,1-3H3/p+1