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

Systemtic Name: methyl 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoate Openeye Name: methyl 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetate CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetate Traditional Name: 2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C11H17N4O2+ MolecularWeight: 237.27828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+]1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

COC(=O)C[NH+]1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C11H16N4O2/c1-17-10(16)9-14-5-7-15(8-6-14)11-12-3-2-4-13-11/h2-4H,5-9H2,1H3/p+1