2-[2-(2-methylpiperidin-1-ium-1-yl)ethoxy]ethyl benzoate chloride

Systemtic Name: 2-[2-(2-methylpiperidin-1-ium-1-yl)ethoxy]ethyl benzoate chloride Openeye Name: 2-[2-(2-methylpiperidin-1-ium-1-yl)ethoxy]ethyl benzoate chloride CAS Name: benzoic acid 2-[2-(2-methyl-1-piperidin-1-iumyl)ethoxy]ethyl ester chloride IUPAC Name: 2-[2-(2-methylpiperidin-1-ium-1-yl)ethoxy]ethyl benzoate chloride Traditional Name: benzoic acid 2-[2-(2-methylpiperidin-1-ium-1-yl)ethoxy]ethyl ester chloride Formula: C17H26ClNO3 MolecularWeight: 327.84624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCOCCOC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1CCCC[NH+]1CCOCCOC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C17H25NO3.ClH/c1-15-7-5-6-10-18(15)11-12-20-13-14-21-17(19)16-8-3-2-4-9-16;/h2-4,8-9,15H,5-7,10-14H2,1H3;1H