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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1H-pyrrole-2-carboxylate IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1H-pyrrole-2-carboxylate Formula: C10H15N3O4S MolecularWeight: 273.3088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N3O4S/c1-12-2-4-13(5-3-12)18(16,17)8-6-9(10(14)15)11-7-8/h6-7,11H,2-5H2,1H3,(H,14,15)