methyl (2R)-2-(2-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C17H20ClN4O2+ MolecularWeight: 347.8193

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H19ClN4O2/c1-24-16(23)15(13-5-2-3-6-14(13)18)21-9-11-22(12-10-21)17-19-7-4-8-20-17/h2-8,15H,9-12H2,1H3/p+1/t15-/m1/s1