4-[[cyclohexyl(methyl)azaniumyl]methyl]benzoate

Systemtic Name: 4-[[cyclohexyl(methyl)azaniumyl]methyl]benzoate Openeye Name: 4-[[cyclohexyl(methyl)ammonio]methyl]benzoate CAS Name: 4-[[cyclohexyl(methyl)ammonio]methyl]benzoate IUPAC Name: 4-[[cyclohexyl(methyl)azaniumyl]methyl]benzoate Traditional Name: 4-[[cyclohexyl(methyl)ammonio]methyl]benzoate Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C(=O)[O-])C2CCCCC2

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C(=O)[O-])C2CCCCC2

InChI

InChI=1S/C15H21NO2/c1-16(14-5-3-2-4-6-14)11-12-7-9-13(10-8-12)15(17)18/h7-10,14H,2-6,11H2,1H3,(H,17,18)