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

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-16(2)13-5-3-4-6-14(13)19-12-9-7-11(8-10-12)15(17)18/h7-10,13-14H,3-6H2,1-2H3,(H,17,18)/t13-,14+/m0/s1