(5R,7S)-3-azaniumyl-5,7-dimethyl-adamantane-1-carboxylate

Systemtic Name: (5R,7S)-3-azaniumyl-5,7-dimethyl-adamantane-1-carboxylate Openeye Name: (5R,7S)-3-azaniumyl-5,7-dimethyl-adamantane-1-carboxylate CAS Name: (5R,7S)-3-ammonio-5,7-dimethyl-1-adamantanecarboxylate IUPAC Name: (5R,7S)-3-azaniumyl-5,7-dimethyladamantane-1-carboxylate Traditional Name: (5R,7S)-3-ammonio-5,7-dimethyl-adamantane-1-carboxylate Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)[NH3+])C(=O)[O-])C

Isomeric SMILES

C[C@@]12C[C@]3(CC(C1)(CC(C2)(C3)[NH3+])C(=O)[O-])C

InChI

InChI=1S/C13H21NO2/c1-10-3-11(2)5-12(4-10,9(15)16)8-13(14,6-10)7-11/h3-8,14H2,1-2H3,(H,15,16)/t10-,11+,12?,13?