ethyl 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2,5-dimethoxybenzyl)piperazin-1-ium-1-yl]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H34N3O5S+ MolecularWeight: 524.65166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)CC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)CC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C28H33N3O5S/c1-4-36-28(33)23-17-25(20-8-6-5-7-9-20)37-27(23)29-26(32)19-31-14-12-30(13-15-31)18-21-16-22(34-2)10-11-24(21)35-3/h5-11,16-17H,4,12-15,18-19H2,1-3H3,(H,29,32)/p+1