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

Systemtic Name: ethyl 4-(4-methoxyphenyl)-2-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H30N3O5S+ MolecularWeight: 508.6092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5S/c1-3-35-27(33)24-22(19-9-11-21(34-2)12-10-19)18-36-25(24)28-23(31)17-29-13-15-30(16-14-29)26(32)20-7-5-4-6-8-20/h4-12,18H,3,13-17H2,1-2H3,(H,28,31)/p+1