ethyl 2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H31N4O5S+ MolecularWeight: 475.58104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C23H30N4O5S/c1-5-32-23(30)19-15(2)20(21(29)24-3)33-22(19)25-18(28)14-26-10-12-27(13-11-26)16-8-6-7-9-17(16)31-4/h6-9H,5,10-14H2,1-4H3,(H,24,29)(H,25,28)/p+1