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

Systemtic Name: ethyl 2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H28N3O5S+ MolecularWeight: 446.53982

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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-4-30-22(28)20-18(16-5-7-17(29-3)8-6-16)14-31-21(20)23-19(27)13-24-9-11-25(12-10-24)15(2)26/h5-8,14H,4,9-13H2,1-3H3,(H,23,27)/p+1