ethyl (1R,5S)-3-(phenylmethyl)-3-azoniabicyclo[3.1.0]hexane-6-carboxylate

Systemtic Name: ethyl (1R,5S)-3-(phenylmethyl)-3-azoniabicyclo[3.1.0]hexane-6-carboxylate Openeye Name: ethyl (1R,5S)-3-benzyl-3-azoniabicyclo[3.1.0]hexane-6-carboxylate CAS Name: (1R,5S)-3-(phenylmethyl)-3-azoniabicyclo[3.1.0]hexane-6-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,5S)-3-benzyl-3-azoniabicyclo[3.1.0]hexane-6-carboxylate Traditional Name: (1R,5S)-3-benzyl-3-azoniabicyclo[3.1.0]hexane-6-carboxylic acid ethyl ester Formula: C15H20NO2+ MolecularWeight: 246.3248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2C1C[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1[C@H]2[C@@H]1C[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C15H19NO2/c1-2-18-15(17)14-12-9-16(10-13(12)14)8-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3/p+1/t12-,13+,14?