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

Systemtic Name: ethyl 2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O3S/c1-4-28-21(27)19-14(2)15(3)29-20(19)23-18(26)13-24-9-11-25(12-10-24)17-7-5-16(22)6-8-17/h5-8H,4,9-13H2,1-3H3,(H,23,26)/p+1