[3-(1-propylpiperidin-1-ium-1-yl)phenyl] ethanoate hydrochloride

Systemtic Name: [3-(1-propylpiperidin-1-ium-1-yl)phenyl] ethanoate hydrochloride Openeye Name: [3-(1-propylpiperidin-1-ium-1-yl)phenyl] acetate hydrochloride CAS Name: acetic acid [3-(1-propyl-1-piperidin-1-iumyl)phenyl] ester hydrochloride IUPAC Name: [3-(1-propylpiperidin-1-ium-1-yl)phenyl] acetate hydrochloride Traditional Name: acetic acid [3-(1-propylpiperidin-1-ium-1-yl)phenyl] ester hydrochloride Formula: C16H25ClNO2+ MolecularWeight: 298.8282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCCC1)C2=CC(=CC=C2)OC(=O)C.Cl

Isomeric SMILES

CCC[N+]1(CCCCC1)C2=CC(=CC=C2)OC(=O)C.Cl

InChI

InChI=1S/C16H24NO2.ClH/c1-3-10-17(11-5-4-6-12-17)15-8-7-9-16(13-15)19-14(2)18;/h7-9,13H,3-6,10-12H2,1-2H3;1H/q+1;