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

Systemtic Name: [(3R,4R)-6,6-dimethyl-4-[4-(2-methylpropoxy)phenyl]carbonyloxy-oxan-3-yl]methyl-dimethyl-azanium Openeye Name: [(3R,4R)-4-(4-isobutoxybenzoyl)oxy-6,6-dimethyl-tetrahydropyran-3-yl]methyl-dimethyl-ammonium CAS Name: [(3R,4R)-6,6-dimethyl-4-[[4-(2-methylpropoxy)phenyl]-oxomethoxy]-3-oxanyl]methyl-dimethylammonium IUPAC Name: [(3R,4R)-6,6-dimethyl-4-[4-(2-methylpropoxy)benzoyl]oxyoxan-3-yl]methyl-dimethylazanium Traditional Name: [(3R,4R)-4-(4-isobutoxybenzoyl)oxy-6,6-dimethyl-tetrahydropyran-3-yl]methyl-dimethyl-ammonium Formula: C21H34NO4+ MolecularWeight: 364.49896

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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

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)O[C@@H]2CC(OC[C@H]2C[NH+](C)C)(C)C

InChI

InChI=1S/C21H33NO4/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/p+1/t17-,19-/m1/s1