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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH2+]CCN1C(=O)C2=CN=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1C[NH2+]CCN1C(=O)C2=CN=CC=C2

InChI

InChI=1S/C12H15N3O3/c1-18-12(17)10-8-14-5-6-15(10)11(16)9-3-2-4-13-7-9/h2-4,7,10,14H,5-6,8H2,1H3/p+1/t10-/m0/s1