methyl 5-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C17H22N5O3S+ MolecularWeight: 376.45328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)C(=O)OC

InChI

InChI=1S/C17H21N5O3S/c1-12-10-13(16(24)25-2)15(26-12)20-14(23)11-21-6-8-22(9-7-21)17-18-4-3-5-19-17/h3-5,10H,6-9,11H2,1-2H3,(H,20,23)/p+1