[3-(piperidin-1-ium-1-ylmethyl)phenyl] ethanoate

Systemtic Name: [3-(piperidin-1-ium-1-ylmethyl)phenyl] ethanoate Openeye Name: [3-(piperidin-1-ium-1-ylmethyl)phenyl] acetate CAS Name: acetic acid [3-(1-piperidin-1-iumylmethyl)phenyl] ester IUPAC Name: [3-(piperidin-1-ium-1-ylmethyl)phenyl] acetate Traditional Name: acetic acid [3-(piperidin-1-ium-1-ylmethyl)phenyl] ester Formula: C14H20NO2+ MolecularWeight: 234.3141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)C[NH+]2CCCCC2

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)C[NH+]2CCCCC2

InChI

InChI=1S/C14H19NO2/c1-12(16)17-14-7-5-6-13(10-14)11-15-8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3/p+1