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

Systemtic Name: ethyl 2-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methyl-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H34N3O4S+ MolecularWeight: 508.65226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O4S/c1-5-35-28(33)26-25(21-11-9-19(2)10-12-21)20(3)36-27(26)29-24(32)18-30-13-15-31(16-14-30)22-7-6-8-23(17-22)34-4/h6-12,17H,5,13-16,18H2,1-4H3,(H,29,32)/p+1