4-[(cycloheptylazaniumyl)methyl]benzoate

Systemtic Name: 4-[(cycloheptylazaniumyl)methyl]benzoate Openeye Name: 4-[(cycloheptylammonio)methyl]benzoate CAS Name: 4-[(cycloheptylammonio)methyl]benzoate IUPAC Name: 4-[(cycloheptylazaniumyl)methyl]benzoate Traditional Name: 4-[(cycloheptylammonio)methyl]benzoate Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1CCCC(CC1)[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H21NO2/c17-15(18)13-9-7-12(8-10-13)11-16-14-5-3-1-2-4-6-14/h7-10,14,16H,1-6,11H2,(H,17,18)