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

Systemtic Name: ethyl 5-phenyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3S/c1-2-31-25(30)21-17-22(19-9-5-3-6-10-19)32-24(21)26-23(29)18-27-13-15-28(16-14-27)20-11-7-4-8-12-20/h3-12,17H,2,13-16,18H2,1H3,(H,26,29)/p+1