azanium N-ethyl-1-phenyl-cyclohexan-1-amine benzoate

Systemtic Name: azanium N-ethyl-1-phenyl-cyclohexan-1-amine benzoate Openeye Name: ammonium N-ethyl-1-phenyl-cyclohexanamine benzoate CAS Name: ammonium N-ethyl-1-phenyl-1-cyclohexanamine benzoate IUPAC Name: azanium N-ethyl-1-phenylcyclohexan-1-amine benzoate Traditional Name: ammonium ethyl-(1-phenylcyclohexyl)amine benzoate Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1(CCCCC1)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[O-].[NH4+]

Isomeric SMILES

CCNC1(CCCCC1)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[O-].[NH4+]

InChI

InChI=1S/C14H21N.C7H6O2.H3N/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13;8-7(9)6-4-2-1-3-5-6;/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3;1-5H,(H,8,9);1H3