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

Systemtic Name: ethyl 3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)C

InChI

InChI=1S/C20H26N4O3S/c1-3-27-20(26)19-15(2)12-18(28-19)22-17(25)14-24-10-8-23(9-11-24)13-16-6-4-5-7-21-16/h4-7,12H,3,8-11,13-14H2,1-2H3,(H,22,25)/p+1