methyl (2R)-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H24N5O3S+ MolecularWeight: 366.45846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H23N5O3S/c1-24-15(23)13-11-21(9-10-25-13)14(22)12-19-5-7-20(8-6-19)16-17-3-2-4-18-16/h2-4,13H,5-12H2,1H3/p+1/t13-/m1/s1