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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCCCC2C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C14H19NO3/c1-18-13-8-3-2-6-11(13)10-15-9-5-4-7-12(15)14(16)17/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,16,17)/t12-/m0/s1