5-ethyl-4-methyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]thiophene-2-carboxamide

Systemtic Name: 5-ethyl-4-methyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]thiophene-2-carboxamide Openeye Name: 5-ethyl-4-methyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]thiophene-2-carboxamide CAS Name: 5-ethyl-4-methyl-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]-2-thiophenecarboxamide IUPAC Name: 5-ethyl-4-methyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]thiophene-2-carboxamide Traditional Name: 5-ethyl-4-methyl-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]thiophene-2-carboxamide Formula: C19H27N4O3S2+ MolecularWeight: 423.57268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C19H26N4O3S2/c1-3-16-15(2)14-17(27-16)19(24)21-8-13-28(25,26)23-11-9-22(10-12-23)18-6-4-5-7-20-18/h4-7,14H,3,8-13H2,1-2H3,(H,21,24)/p+1