5-(2-methylpiperidin-1-ium-1-yl)pentyl benzoate chloride

Systemtic Name: 5-(2-methylpiperidin-1-ium-1-yl)pentyl benzoate chloride Openeye Name: 5-(2-methylpiperidin-1-ium-1-yl)pentyl benzoate chloride CAS Name: benzoic acid 5-(2-methyl-1-piperidin-1-iumyl)pentyl ester chloride IUPAC Name: 5-(2-methylpiperidin-1-ium-1-yl)pentyl benzoate chloride Traditional Name: benzoic acid 5-(2-methylpiperidin-1-ium-1-yl)pentyl ester chloride Formula: C18H28ClNO2 MolecularWeight: 325.87342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO2.ClH/c1-16-10-6-8-14-19(16)13-7-3-9-15-21-18(20)17-11-4-2-5-12-17;/h2,4-5,11-12,16H,3,6-10,13-15H2,1H3;1H