4-[(1R,2S)-2-(diethylazaniumyl)cyclohexyl]oxybenzoate

Systemtic Name: 4-[(1R,2S)-2-(diethylazaniumyl)cyclohexyl]oxybenzoate Openeye Name: 4-[(1R,2S)-2-(diethylammonio)cyclohexoxy]benzoate CAS Name: 4-[(1R,2S)-2-(diethylammonio)cyclohexyl]oxybenzoate IUPAC Name: 4-[(1R,2S)-2-(diethylazaniumyl)cyclohexyl]oxybenzoate Traditional Name: 4-[(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=C(C=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-3-18(4-2)15-7-5-6-8-16(15)21-14-11-9-13(10-12-14)17(19)20/h9-12,15-16H,3-8H2,1-2H3,(H,19,20)/t15-,16+/m0/s1