2-[(1R,2S)-2-(dimethylazaniumyl)cyclohexyl]oxybenzoate

Systemtic Name: 2-[(1R,2S)-2-(dimethylazaniumyl)cyclohexyl]oxybenzoate Openeye Name: 2-[(1R,2S)-2-(dimethylammonio)cyclohexoxy]benzoate CAS Name: 2-[(1R,2S)-2-(dimethylammonio)cyclohexyl]oxybenzoate IUPAC Name: 2-[(1R,2S)-2-(dimethylazaniumyl)cyclohexyl]oxybenzoate Traditional Name: 2-[(1R,2S)-2-(dimethylammonio)cyclohexoxy]benzoate Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CCCCC1OC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C[NH+](C)[C@H]1CCCC[C@H]1OC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C15H21NO3/c1-16(2)12-8-4-6-10-14(12)19-13-9-5-3-7-11(13)15(17)18/h3,5,7,9,12,14H,4,6,8,10H2,1-2H3,(H,17,18)/t12-,14+/m0/s1