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

Systemtic Name: ethyl 4-phenyl-2-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C24H27N4O3S+ MolecularWeight: 451.56118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3S/c1-2-31-24(30)22-19(18-8-4-3-5-9-18)17-32-23(22)26-21(29)16-27-12-14-28(15-13-27)20-10-6-7-11-25-20/h3-11,17H,2,12-16H2,1H3,(H,26,29)/p+1