1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-ethoxybenzyl)piperidin-1-ium-4-carboxylate Formula: C15H21NO3 MolecularWeight: 263.33214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C15H21NO3/c1-2-19-14-6-4-3-5-13(14)11-16-9-7-12(8-10-16)15(17)18/h3-6,12H,2,7-11H2,1H3,(H,17,18)