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

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-2-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-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)N)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

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

InChI

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