3-[[cyclohexyl(ethyl)azaniumyl]methyl]benzoate

Systemtic Name: 3-[[cyclohexyl(ethyl)azaniumyl]methyl]benzoate Openeye Name: 3-[[cyclohexyl(ethyl)ammonio]methyl]benzoate CAS Name: 3-[[cyclohexyl(ethyl)ammonio]methyl]benzoate IUPAC Name: 3-[[cyclohexyl(ethyl)azaniumyl]methyl]benzoate Traditional Name: 3-[[cyclohexyl(ethyl)ammonio]methyl]benzoate Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2/c1-2-17(15-9-4-3-5-10-15)12-13-7-6-8-14(11-13)16(18)19/h6-8,11,15H,2-5,9-10,12H2,1H3,(H,18,19)