[2-(1-propylpiperidin-1-ium-1-yl)phenyl] 2,6-dimethylbenzoate hydrochloride

Systemtic Name: [2-(1-propylpiperidin-1-ium-1-yl)phenyl] 2,6-dimethylbenzoate hydrochloride Openeye Name: [2-(1-propylpiperidin-1-ium-1-yl)phenyl] 2,6-dimethylbenzoate hydrochloride CAS Name: 2,6-dimethylbenzoic acid [2-(1-propyl-1-piperidin-1-iumyl)phenyl] ester hydrochloride IUPAC Name: [2-(1-propylpiperidin-1-ium-1-yl)phenyl] 2,6-dimethylbenzoate hydrochloride Traditional Name: 2,6-dimethylbenzoic acid [2-(1-propylpiperidin-1-ium-1-yl)phenyl] ester hydrochloride Formula: C23H31ClNO2+ MolecularWeight: 388.95074

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCCC1)C2=CC=CC=C2OC(=O)C3=C(C=CC=C3C)C.Cl

Isomeric SMILES

CCC[N+]1(CCCCC1)C2=CC=CC=C2OC(=O)C3=C(C=CC=C3C)C.Cl

InChI

InChI=1S/C23H30NO2.ClH/c1-4-15-24(16-8-5-9-17-24)20-13-6-7-14-21(20)26-23(25)22-18(2)11-10-12-19(22)3;/h6-7,10-14H,4-5,8-9,15-17H2,1-3H3;1H/q+1;