(2S)-2-[cyclohexyl(methyl)azaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[cyclohexyl(methyl)azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[cyclohexyl(methyl)ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[cyclohexyl(methyl)ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[cyclohexyl(methyl)azaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[cyclohexyl(methyl)ammonio]-2-phenyl-acetate Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C1CCCCC1)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](C1CCCCC1)[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H21NO2/c1-16(13-10-6-3-7-11-13)14(15(17)18)12-8-4-2-5-9-12/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3,(H,17,18)/t14-/m0/s1