2-[cycloheptyl-(phenylmethyl)azaniumyl]ethanoate

Systemtic Name: 2-[cycloheptyl-(phenylmethyl)azaniumyl]ethanoate Openeye Name: 2-[benzyl(cycloheptyl)ammonio]acetate CAS Name: 2-[cycloheptyl-(phenylmethyl)ammonio]acetate IUPAC Name: 2-[benzyl(cycloheptyl)azaniumyl]acetate Traditional Name: 2-[benzyl(cycloheptyl)ammonio]acetate Formula: C16H23NO2 MolecularWeight: 261.35932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+](CC2=CC=CC=C2)CC(=O)[O-]

Isomeric SMILES

C1CCCC(CC1)[NH+](CC2=CC=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C16H23NO2/c18-16(19)13-17(12-14-8-4-3-5-9-14)15-10-6-1-2-7-11-15/h3-5,8-9,15H,1-2,6-7,10-13H2,(H,18,19)