ethyl 3-[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H27N4O5S+ MolecularWeight: 495.57068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O5S/c1-2-34-25(31)24-19(16-22(35-24)18-8-4-3-5-9-18)26-23(30)17-27-12-14-28(15-13-27)20-10-6-7-11-21(20)29(32)33/h3-11,16H,2,12-15,17H2,1H3,(H,26,30)/p+1