N-ethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxamide

Systemtic Name: N-ethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxamide Openeye Name: N-ethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxamide CAS Name: N-ethyl-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxamide IUPAC Name: N-ethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide Traditional Name: N-ethyl-4-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-thiophene-2-carboxamide Formula: C16H21N4O3S2+ MolecularWeight: 381.49294

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CS1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCNC(=O)C1=CC(=CS1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H20N4O3S2/c1-2-17-16(21)14-11-13(12-24-14)25(22,23)20-9-7-19(8-10-20)15-5-3-4-6-18-15/h3-6,11-12H,2,7-10H2,1H3,(H,17,21)/p+1