3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 2-phenylethanoate chloride

Systemtic Name: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 2-phenylethanoate chloride Openeye Name: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 2-phenylacetate chloride CAS Name: 2-phenylacetic acid 3-(2,6-dimethyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 2-phenylacetate chloride Traditional Name: 2-phenylacetic acid 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C18H28ClNO2 MolecularWeight: 325.87342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CCCOC(=O)CC2=CC=CC=C2)C.[Cl-]

Isomeric SMILES

CC1CCCC([NH+]1CCCOC(=O)CC2=CC=CC=C2)C.[Cl-]

InChI

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