4-[(1-adamantylazaniumyl)methyl]benzoate

Systemtic Name: 4-[(1-adamantylazaniumyl)methyl]benzoate Openeye Name: 4-[(1-adamantylammonio)methyl]benzoate CAS Name: 4-[(1-adamantylammonio)methyl]benzoate IUPAC Name: 4-[(1-adamantylazaniumyl)methyl]benzoate Traditional Name: 4-[(1-adamantylammonio)methyl]benzoate Formula: C18H23NO2 MolecularWeight: 285.38072

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C18H23NO2/c20-17(21)16-3-1-12(2-4-16)11-19-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15,19H,5-11H2,(H,20,21)