2-[(cycloheptylazaniumyl)methyl]benzoate

Systemtic Name: 2-[(cycloheptylazaniumyl)methyl]benzoate Openeye Name: 2-[(cycloheptylammonio)methyl]benzoate CAS Name: 2-[(cycloheptylammonio)methyl]benzoate IUPAC Name: 2-[(cycloheptylazaniumyl)methyl]benzoate Traditional Name: 2-[(cycloheptylammonio)methyl]benzoate Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH2+]CC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1CCCC(CC1)[NH2+]CC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C15H21NO2/c17-15(18)14-10-6-5-7-12(14)11-16-13-8-3-1-2-4-9-13/h5-7,10,13,16H,1-4,8-9,11H2,(H,17,18)