3-(1,2-dimethylpiperidin-1-ium-1-yl)propyl benzoate

Systemtic Name: 3-(1,2-dimethylpiperidin-1-ium-1-yl)propyl benzoate Openeye Name: 3-(1,2-dimethylpiperidin-1-ium-1-yl)propyl benzoate CAS Name: benzoic acid 3-(1,2-dimethyl-1-piperidin-1-iumyl)propyl ester IUPAC Name: 3-(1,2-dimethylpiperidin-1-ium-1-yl)propyl benzoate Traditional Name: benzoic acid 3-(1,2-dimethylpiperidin-1-ium-1-yl)propyl ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[N+]1(C)CCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1CCCC[N+]1(C)CCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H26NO2/c1-15-9-6-7-12-18(15,2)13-8-14-20-17(19)16-10-4-3-5-11-16/h3-5,10-11,15H,6-9,12-14H2,1-2H3/q+1