(2S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: (2S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: (2S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(3-methoxyphenyl)methyl]-2-piperidin-1-iumcarboxylate IUPAC Name: (2S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-m-anisylpiperidin-1-ium-2-carboxylate Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCCC2C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C14H19NO3/c1-18-12-6-4-5-11(9-12)10-15-8-3-2-7-13(15)14(16)17/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,16,17)/t13-/m0/s1