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

Systemtic Name: 3-(1,2-dimethylpiperidin-1-ium-1-yl)propyl benzoate iodide Openeye Name: 3-(1,2-dimethylpiperidin-1-ium-1-yl)propyl benzoate iodide CAS Name: benzoic acid 3-(1,2-dimethyl-1-piperidin-1-iumyl)propyl ester iodide IUPAC Name: 3-(1,2-dimethylpiperidin-1-ium-1-yl)propyl benzoate iodide Traditional Name: benzoic acid 3-(1,2-dimethylpiperidin-1-ium-1-yl)propyl ester iodide Formula: C17H26INO2 MolecularWeight: 403.29831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26NO2.HI/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;1H/q+1;/p-1