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

Systemtic Name: [3-(1-propylpiperidin-1-ium-1-yl)phenyl] benzoate hydrochloride Openeye Name: [3-(1-propylpiperidin-1-ium-1-yl)phenyl] benzoate hydrochloride CAS Name: benzoic acid [3-(1-propyl-1-piperidin-1-iumyl)phenyl] ester hydrochloride IUPAC Name: [3-(1-propylpiperidin-1-ium-1-yl)phenyl] benzoate hydrochloride Traditional Name: benzoic acid [3-(1-propylpiperidin-1-ium-1-yl)phenyl] ester hydrochloride Formula: C21H27ClNO2+ MolecularWeight: 360.89758

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCCC1)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

CCC[N+]1(CCCCC1)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H26NO2.ClH/c1-2-14-22(15-7-4-8-16-22)19-12-9-13-20(17-19)24-21(23)18-10-5-3-6-11-18;/h3,5-6,9-13,17H,2,4,7-8,14-16H2,1H3;1H/q+1;