3-(2,4,6-trimethylpiperidin-1-ium-1-yl)propyl benzoate chloride

Systemtic Name: 3-(2,4,6-trimethylpiperidin-1-ium-1-yl)propyl benzoate chloride Openeye Name: 3-(2,4,6-trimethylpiperidin-1-ium-1-yl)propyl benzoate chloride CAS Name: benzoic acid 3-(2,4,6-trimethyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2,4,6-trimethylpiperidin-1-ium-1-yl)propyl benzoate chloride Traditional Name: benzoic acid 3-(2,4,6-trimethylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C18H28ClNO2 MolecularWeight: 325.87342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC([NH+](C(C1)C)CCCOC(=O)C2=CC=CC=C2)C.[Cl-]

Isomeric SMILES

CC1CC([NH+](C(C1)C)CCCOC(=O)C2=CC=CC=C2)C.[Cl-]

InChI

InChI=1S/C18H27NO2.ClH/c1-14-12-15(2)19(16(3)13-14)10-7-11-21-18(20)17-8-5-4-6-9-17;/h4-6,8-9,14-16H,7,10-13H2,1-3H3;1H