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

Systemtic Name: 1-methyl-4-(4-propylpiperazin-4-ium-1-yl)sulfonyl-pyrrole-2-carboxylate Openeye Name: 1-methyl-4-(4-propylpiperazin-4-ium-1-yl)sulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-[(4-propyl-1-piperazin-4-iumyl)sulfonyl]-2-pyrrolecarboxylate IUPAC Name: 1-methyl-4-(4-propylpiperazin-4-ium-1-yl)sulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-(4-propylpiperazin-4-ium-1-yl)sulfonyl-pyrrole-2-carboxylate Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O4S/c1-3-4-15-5-7-16(8-6-15)21(19,20)11-9-12(13(17)18)14(2)10-11/h9-10H,3-8H2,1-2H3,(H,17,18)