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

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

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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)N)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C(=C(S3)C(=O)N)C)C(=O)OC

InChI

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