4-[[(2-methylphenyl)methylazaniumyl]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[(2-methylphenyl)methylazaniumyl]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[(o-tolylmethylammonio)methyl]cyclohexanecarboxylate CAS Name: 4-[[(2-methylphenyl)methylammonio]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(2-methylphenyl)methylazaniumyl]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(2-methylbenzyl)ammonio]methyl]cyclohexanecarboxylate Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH2+]CC2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH2+]CC2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C16H23NO2/c1-12-4-2-3-5-15(12)11-17-10-13-6-8-14(9-7-13)16(18)19/h2-5,13-14,17H,6-11H2,1H3,(H,18,19)