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

Systemtic Name: methyl (2R)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoate Openeye Name: methyl (2R)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetate CAS Name: (2R)-2-phenyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetate Traditional Name: (2R)-2-phenyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2/c1-23-16(22)15(14-6-3-2-4-7-14)20-10-12-21(13-11-20)17-18-8-5-9-19-17/h2-9,15H,10-13H2,1H3/p+1/t15-/m1/s1