1-azaniumyl-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate

Systemtic Name: 1-azaniumyl-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate Openeye Name: 1-azaniumyl-4-(1,1-dimethylpropyl)cyclohexanecarboxylate CAS Name: 1-ammonio-4-(2-methylbutan-2-yl)-1-cyclohexanecarboxylate IUPAC Name: 1-azaniumyl-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylate Traditional Name: 1-ammonio-4-tert-amyl-cyclohexanecarboxylate Formula: C12H23NO2 MolecularWeight: 213.31652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)(C(=O)[O-])[NH3+]

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H23NO2/c1-4-11(2,3)9-5-7-12(13,8-6-9)10(14)15/h9H,4-8,13H2,1-3H3,(H,14,15)