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

Systemtic Name: 2-methoxyethyl 5-aminocarbonyl-2-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: 2-methoxyethyl 5-carbamoyl-2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-carbamoyl-2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid 2-methoxyethyl ester Formula: C22H29N4O6S+ MolecularWeight: 477.55386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)C(=O)N

InChI

InChI=1S/C22H28N4O6S/c1-14-18(22(30)32-12-11-31-2)21(33-19(14)20(23)29)24-17(28)13-25-7-9-26(10-8-25)15-5-3-4-6-16(15)27/h3-6,27H,7-13H2,1-2H3,(H2,23,29)(H,24,28)/p+1