(3S)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-p-anisylpiperidin-1-ium-3-carboxylate Formula: C14H19NO3 MolecularWeight: 249.30556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C14H19NO3/c1-18-13-6-4-11(5-7-13)9-15-8-2-3-12(10-15)14(16)17/h4-7,12H,2-3,8-10H2,1H3,(H,16,17)/t12-/m0/s1