3-(4-propan-2-ylpiperidin-1-ium-1-yl)propyl benzoate chloride

Systemtic Name: 3-(4-propan-2-ylpiperidin-1-ium-1-yl)propyl benzoate chloride Openeye Name: 3-(4-isopropylpiperidin-1-ium-1-yl)propyl benzoate chloride CAS Name: benzoic acid 3-(4-propan-2-yl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(4-propan-2-ylpiperidin-1-ium-1-yl)propyl benzoate chloride Traditional Name: benzoic acid 3-(4-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)C1CC[NH+](CC1)CCCOC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(C)C1CC[NH+](CC1)CCCOC(=O)C2=CC=CC=C2.[Cl-]

InChI

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