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

Systemtic Name: ethyl (3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-m-anisylpiperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H24NO3+ MolecularWeight: 278.36666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=CC=C2)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C16H23NO3/c1-3-20-16(18)14-7-5-9-17(12-14)11-13-6-4-8-15(10-13)19-2/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3/p+1/t14-/m0/s1