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

Systemtic Name: 4-(4-propylpiperazin-4-ium-1-yl)sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: 4-(4-propylpiperazin-4-ium-1-yl)sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(4-propyl-1-piperazin-4-iumyl)sulfonyl]-1H-pyrrole-2-carboxylate IUPAC Name: 4-(4-propylpiperazin-4-ium-1-yl)sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-propylpiperazin-4-ium-1-yl)sulfonyl-1H-pyrrole-2-carboxylate Formula: C12H19N3O4S MolecularWeight: 301.36196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O4S/c1-2-3-14-4-6-15(7-5-14)20(18,19)10-8-11(12(16)17)13-9-10/h8-9,13H,2-7H2,1H3,(H,16,17)