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

Systemtic Name: 2-[(1R,2S)-2-(diethylazaniumyl)cyclohexyl]oxybenzoate Openeye Name: 2-[(1R,2S)-2-(diethylammonio)cyclohexoxy]benzoate CAS Name: 2-[(1R,2S)-2-(diethylammonio)cyclohexyl]oxybenzoate IUPAC Name: 2-[(1R,2S)-2-(diethylazaniumyl)cyclohexyl]oxybenzoate Traditional Name: 2-[(1R,2S)-2-(diethylammonio)cyclohexoxy]benzoate Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-3-18(4-2)14-10-6-8-12-16(14)21-15-11-7-5-9-13(15)17(19)20/h5,7,9,11,14,16H,3-4,6,8,10,12H2,1-2H3,(H,19,20)/t14-,16+/m0/s1