[6,6-dimethyl-4-[4-(2-methylpropoxy)phenyl]carbonyloxy-oxan-3-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [6,6-dimethyl-4-[4-(2-methylpropoxy)phenyl]carbonyloxy-oxan-3-yl]methyl-dimethyl-azanium chloride Openeye Name: [4-(4-isobutoxybenzoyl)oxy-6,6-dimethyl-tetrahydropyran-3-yl]methyl-dimethyl-ammonium chloride CAS Name: [6,6-dimethyl-4-[[4-(2-methylpropoxy)phenyl]-oxomethoxy]-3-oxanyl]methyl-dimethylammonium chloride IUPAC Name: [6,6-dimethyl-4-[4-(2-methylpropoxy)benzoyl]oxyoxan-3-yl]methyl-dimethylazanium chloride Traditional Name: [4-(4-isobutoxybenzoyl)oxy-6,6-dimethyl-tetrahydropyran-3-yl]methyl-dimethyl-ammonium chloride Formula: C21H34ClNO4 MolecularWeight: 399.95196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OC2CC(OCC2C[NH+](C)C)(C)C.[Cl-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)OC2CC(OCC2C[NH+](C)C)(C)C.[Cl-]

InChI

InChI=1S/C21H33NO4.ClH/c1-15(2)13-24-18-9-7-16(8-10-18)20(23)26-19-11-21(3,4)25-14-17(19)12-22(5)6;/h7-10,15,17,19H,11-14H2,1-6H3;1H