ethyl 4-(4-methylphenyl)-2-[2-(4-pyridin-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-2-[2-(4-pyridin-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(p-tolyl)-2-[[2-[4-(pyridine-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-2-[4-[oxo(2-pyridinyl)methyl]-1-piperazin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-[[2-[4-(pyridine-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-picolinoylpiperazin-1-ium-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H29N4O4S+ MolecularWeight: 493.59786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C26H28N4O4S/c1-3-34-26(33)23-20(19-9-7-18(2)8-10-19)17-35-24(23)28-22(31)16-29-12-14-30(15-13-29)25(32)21-6-4-5-11-27-21/h4-11,17H,3,12-16H2,1-2H3,(H,28,31)/p+1