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

Systemtic Name: methyl (3S,4S)-8-methyl-3-phenyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (3S,4S)-8-methyl-3-phenyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S,4S)-8-methyl-3-phenyl-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-8-methyl-3-phenyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S,4S)-8-methyl-3-phenyl-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C16H22NO2+ MolecularWeight: 260.35138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12?,13-,14?,15+/m1/s1