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

Systemtic Name: ethyl 2-[2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H34N3O3S+ MolecularWeight: 492.65286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C28H33N3O3S/c1-3-23-19-24(28(33)34-4-2)27(35-23)29-25(32)20-30-15-17-31(18-16-30)26(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19,26H,3-4,15-18,20H2,1-2H3,(H,29,32)/p+1