3-[(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-3-oxidanylidene-2-phenyl-propan-1-olate

Systemtic Name: 3-[(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-3-oxidanylidene-2-phenyl-propan-1-olate Openeye Name: 3-[(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-3-oxo-2-phenyl-propan-1-olate CAS Name: 3-[(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-3-oxo-2-phenyl-1-propanolate IUPAC Name: 3-[(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-3-oxo-2-phenylpropan-1-olate Traditional Name: 3-[(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-3-keto-2-phenyl-propan-1-olate Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C(C[O-])C3=CC=CC=C3)C

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C(C[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C18H25NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3