3-(2-propan-2-ylpiperidin-1-ium-1-yl)propyl benzoate chloride

Systemtic Name: 3-(2-propan-2-ylpiperidin-1-ium-1-yl)propyl benzoate chloride Openeye Name: 3-(2-isopropylpiperidin-1-ium-1-yl)propyl benzoate chloride CAS Name: benzoic acid 3-(2-propan-2-yl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-propan-2-ylpiperidin-1-ium-1-yl)propyl benzoate chloride Traditional Name: benzoic acid 3-(2-isopropylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C18H28ClNO2 MolecularWeight: 325.87342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCCC[NH+]1CCCOC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(C)C1CCCC[NH+]1CCCOC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C18H27NO2.ClH/c1-15(2)17-11-6-7-12-19(17)13-8-14-21-18(20)16-9-4-3-5-10-16;/h3-5,9-10,15,17H,6-8,11-14H2,1-2H3;1H