5-[5-(piperazin-4-ium-1-ylmethyl)thiophen-3-yl]thiophene-2-carboxylate

Systemtic Name: 5-[5-(piperazin-4-ium-1-ylmethyl)thiophen-3-yl]thiophene-2-carboxylate Openeye Name: 5-[5-(piperazin-4-ium-1-ylmethyl)-3-thienyl]thiophene-2-carboxylate CAS Name: 5-[5-(1-piperazin-4-iumylmethyl)-3-thiophenyl]-2-thiophenecarboxylate IUPAC Name: 5-[5-(piperazin-4-ium-1-ylmethyl)thiophen-3-yl]thiophene-2-carboxylate Traditional Name: 5-[5-(piperazin-4-ium-1-ylmethyl)-3-thienyl]-2-thenoate Formula: C14H16N2O2S2 MolecularWeight: 308.41904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC(=CS2)C3=CC=C(S3)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC(=CS2)C3=CC=C(S3)C(=O)[O-]

InChI

InChI=1S/C14H16N2O2S2/c17-14(18)13-2-1-12(20-13)10-7-11(19-9-10)8-16-5-3-15-4-6-16/h1-2,7,9,15H,3-6,8H2,(H,17,18)