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

Systemtic Name: ethyl 5-ethanoyl-2-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-[4-(4-ethoxybenzyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H34N3O5S+ MolecularWeight: 488.61956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=C(C(=C(S3)C(=O)C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=C(C(=C(S3)C(=O)C)C)C(=O)OCC

InChI

InChI=1S/C25H33N3O5S/c1-5-32-20-9-7-19(8-10-20)15-27-11-13-28(14-12-27)16-21(30)26-24-22(25(31)33-6-2)17(3)23(34-24)18(4)29/h7-10H,5-6,11-16H2,1-4H3,(H,26,30)/p+1