[3-(1-propylpiperidin-1-ium-1-yl)phenyl] 2,6-dimethylbenzoate

Systemtic Name: [3-(1-propylpiperidin-1-ium-1-yl)phenyl] 2,6-dimethylbenzoate Openeye Name: [3-(1-propylpiperidin-1-ium-1-yl)phenyl] 2,6-dimethylbenzoate CAS Name: 2,6-dimethylbenzoic acid [3-(1-propyl-1-piperidin-1-iumyl)phenyl] ester IUPAC Name: [3-(1-propylpiperidin-1-ium-1-yl)phenyl] 2,6-dimethylbenzoate Traditional Name: 2,6-dimethylbenzoic acid [3-(1-propylpiperidin-1-ium-1-yl)phenyl] ester Formula: C23H30NO2+ MolecularWeight: 352.4898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30NO2/c1-4-14-24(15-6-5-7-16-24)20-12-9-13-21(17-20)26-23(25)22-18(2)10-8-11-19(22)3/h8-13,17H,4-7,14-16H2,1-3H3/q+1