1-azaniumyl-4-phenyl-cyclohexane-1-carboxylate

Systemtic Name: 1-azaniumyl-4-phenyl-cyclohexane-1-carboxylate Openeye Name: 1-azaniumyl-4-phenyl-cyclohexanecarboxylate CAS Name: 1-ammonio-4-phenyl-1-cyclohexanecarboxylate IUPAC Name: 1-azaniumyl-4-phenylcyclohexane-1-carboxylate Traditional Name: 1-ammonio-4-phenyl-cyclohexanecarboxylate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)(C(=O)[O-])[NH3+]

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H17NO2/c14-13(12(15)16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)