5-(4-methylpiperazin-4-ium-1-yl)thiophene-2-carboxylate

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)thiophene-2-carboxylate Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)thiophene-2-carboxylate CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-thiophenecarboxylate IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)thiophene-2-carboxylate Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-thenoate Formula: C10H14N2O2S MolecularWeight: 226.29536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(S2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(S2)C(=O)[O-]

InChI

InChI=1S/C10H14N2O2S/c1-11-4-6-12(7-5-11)9-3-2-8(15-9)10(13)14/h2-3H,4-7H2,1H3,(H,13,14)