ethyl 4-(4-methoxyphenyl)-2-[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-[[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-[[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-[[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H29N4O6S+ MolecularWeight: 525.59666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O6S/c1-3-36-26(32)24-20(18-8-10-19(35-2)11-9-18)17-37-25(24)27-23(31)16-28-12-14-29(15-13-28)21-6-4-5-7-22(21)30(33)34/h4-11,17H,3,12-16H2,1-2H3,(H,27,31)/p+1