methyl (2R)-4-pyridin-3-ylcarbonylpiperazin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-4-pyridin-3-ylcarbonylpiperazin-1-ium-2-carboxylate Openeye Name: methyl (2R)-4-(pyridine-3-carbonyl)piperazin-1-ium-2-carboxylate CAS Name: (2R)-4-[oxo(3-pyridinyl)methyl]-2-piperazin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(pyridine-3-carbonyl)piperazin-1-ium-2-carboxylate Traditional Name: (2R)-4-nicotinoylpiperazin-1-ium-2-carboxylic acid methyl ester Formula: C12H16N3O3+ MolecularWeight: 250.27374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC[NH2+]1)C(=O)C2=CN=CC=C2

Isomeric SMILES

COC(=O)[C@H]1CN(CC[NH2+]1)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C12H15N3O3/c1-18-12(17)10-8-15(6-5-14-10)11(16)9-3-2-4-13-7-9/h2-4,7,10,14H,5-6,8H2,1H3/p+1/t10-/m1/s1