methyl 8-methyl-6-nitroso-3-(3-oxidanyl-2-phenyl-propanoyl)oxy-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane-6-carboxylate

Systemtic Name: methyl 8-methyl-6-nitroso-3-(3-oxidanyl-2-phenyl-propanoyl)oxy-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane-6-carboxylate Openeye Name: methyl 3-(3-hydroxy-2-phenyl-propanoyl)oxy-8-isopropyl-8-methyl-6-nitroso-8-azoniabicyclo[3.2.1]octane-6-carboxylate CAS Name: 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-6-nitroso-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-hydroxy-2-phenylpropanoyl)oxy-8-methyl-6-nitroso-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane-6-carboxylate Traditional Name: 8-isopropyl-8-methyl-6-nitroso-3-tropoyloxy-8-azoniabicyclo[3.2.1]octane-6-carboxylic acid methyl ester Formula: C22H31N2O6+ MolecularWeight: 419.49134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(C2CC(CC1C(C2)(C(=O)OC)N=O)OC(=O)C(CO)C3=CC=CC=C3)C

Isomeric SMILES

CC(C)[N+]1(C2CC(CC1C(C2)(C(=O)OC)N=O)OC(=O)C(CO)C3=CC=CC=C3)C

InChI

InChI=1S/C22H31N2O6/c1-14(2)24(3)16-10-17(11-19(24)22(12-16,23-28)21(27)29-4)30-20(26)18(13-25)15-8-6-5-7-9-15/h5-9,14,16-19,25H,10-13H2,1-4H3/q+1