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

Systemtic Name: propyl (3S,4R)-8-methyl-3-(phenylcarbonyloxy)-8-azoniabicyclo[3.2.1]octane-4-carboxylate Openeye Name: propyl (3S,4R)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S,4R)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid propyl ester IUPAC Name: propyl (3S,4R)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S,4R)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid propyl ester Formula: C19H26NO4+ MolecularWeight: 332.41404

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C2CCC([NH+]2C)CC1OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)[C@H]1[C@H](CC2CCC1[NH+]2C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H25NO4/c1-3-11-23-19(22)17-15-10-9-14(20(15)2)12-16(17)24-18(21)13-7-5-4-6-8-13/h4-8,14-17H,3,9-12H2,1-2H3/p+1/t14?,15?,16-,17+/m0/s1