5-(4-propylpiperazin-4-ium-1-yl)sulfonylthiophene-3-carboxylate

Systemtic Name: 5-(4-propylpiperazin-4-ium-1-yl)sulfonylthiophene-3-carboxylate Openeye Name: 5-(4-propylpiperazin-4-ium-1-yl)sulfonylthiophene-3-carboxylate CAS Name: 5-[(4-propyl-1-piperazin-4-iumyl)sulfonyl]-3-thiophenecarboxylate IUPAC Name: 5-(4-propylpiperazin-4-ium-1-yl)sulfonylthiophene-3-carboxylate Traditional Name: 5-(4-propylpiperazin-4-ium-1-yl)sulfonyl-3-thenoate Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CS2)C(=O)[O-]

Isomeric SMILES

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CS2)C(=O)[O-]

InChI

InChI=1S/C12H18N2O4S2/c1-2-3-13-4-6-14(7-5-13)20(17,18)11-8-10(9-19-11)12(15)16/h8-9H,2-7H2,1H3,(H,15,16)