3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylate

Systemtic Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylate Openeye Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylate IUPAC Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylate Traditional Name: 3-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-2-thenoate Formula: C14H15N3O4S2 MolecularWeight: 353.4166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=C(SC=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=C(SC=C3)C(=O)[O-]

InChI

InChI=1S/C14H15N3O4S2/c18-14(19)13-11(4-10-22-13)23(20,21)17-8-6-16(7-9-17)12-3-1-2-5-15-12/h1-5,10H,6-9H2,(H,18,19)