methyl (3S,4S)-8-methyl-3-(phenylcarbonyloxy)-8-azoniabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (3S,4S)-8-methyl-3-(phenylcarbonyloxy)-8-azoniabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (3S,4S)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S,4S)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S,4S)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C17H22NO4+ MolecularWeight: 304.36088

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

C[NH+]1C2CCC1[C@@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12?,13?,14-,15-/m0/s1