6-(2-methylpiperidin-1-ium-1-yl)hexyl benzoate chloride

Systemtic Name: 6-(2-methylpiperidin-1-ium-1-yl)hexyl benzoate chloride Openeye Name: 6-(2-methylpiperidin-1-ium-1-yl)hexyl benzoate chloride CAS Name: benzoic acid 6-(2-methyl-1-piperidin-1-iumyl)hexyl ester chloride IUPAC Name: 6-(2-methylpiperidin-1-ium-1-yl)hexyl benzoate chloride Traditional Name: benzoic acid 6-(2-methylpiperidin-1-ium-1-yl)hexyl ester chloride Formula: C19H30ClNO2 MolecularWeight: 339.9

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO2.ClH/c1-17-11-7-9-15-20(17)14-8-2-3-10-16-22-19(21)18-12-5-4-6-13-18;/h4-6,12-13,17H,2-3,7-11,14-16H2,1H3;1H