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

Systemtic Name: ethyl 2-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H29N4O5S+ MolecularWeight: 461.55446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S/c1-4-31-22(30)18-14(2)19(20(29)23-3)32-21(18)24-17(28)13-25-9-11-26(12-10-25)15-5-7-16(27)8-6-15/h5-8,27H,4,9-13H2,1-3H3,(H,23,29)(H,24,28)/p+1