3-[(1R,2S)-2-(diethylazaniumyl)cyclohexyl]oxybenzoate

Systemtic Name: 3-[(1R,2S)-2-(diethylazaniumyl)cyclohexyl]oxybenzoate Openeye Name: 3-[(1R,2S)-2-(diethylammonio)cyclohexoxy]benzoate CAS Name: 3-[(1R,2S)-2-(diethylammonio)cyclohexyl]oxybenzoate IUPAC Name: 3-[(1R,2S)-2-(diethylazaniumyl)cyclohexyl]oxybenzoate Traditional Name: 3-[(1R,2S)-2-(diethylammonio)cyclohexoxy]benzoate Formula: C17H25NO3 MolecularWeight: 291.3853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CCCCC1OC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)[C@H]1CCCC[C@H]1OC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C17H25NO3/c1-3-18(4-2)15-10-5-6-11-16(15)21-14-9-7-8-13(12-14)17(19)20/h7-9,12,15-16H,3-6,10-11H2,1-2H3,(H,19,20)/t15-,16+/m0/s1