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

Systemtic Name: ethyl 2-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-methyl-5-(methylcarbamoyl)-2-[[2-(4-o-phenetylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C24H33N4O5S+ MolecularWeight: 489.60762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C(=C(S3)C(=O)NC)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C(=C(S3)C(=O)NC)C)C(=O)OCC

InChI

InChI=1S/C24H32N4O5S/c1-5-32-18-10-8-7-9-17(18)28-13-11-27(12-14-28)15-19(29)26-23-20(24(31)33-6-2)16(3)21(34-23)22(30)25-4/h7-10H,5-6,11-15H2,1-4H3,(H,25,30)(H,26,29)/p+1