(2S)-2-azaniumyl-2-[(3S,5R)-3,5-dimethyl-1-adamantyl]ethanoate

Systemtic Name: (2S)-2-azaniumyl-2-[(3S,5R)-3,5-dimethyl-1-adamantyl]ethanoate Openeye Name: (2S)-2-azaniumyl-2-[(3S,5R)-3,5-dimethyl-1-adamantyl]acetate CAS Name: (2S)-2-ammonio-2-[(3S,5R)-3,5-dimethyl-1-adamantyl]acetate IUPAC Name: (2S)-2-azaniumyl-2-[(3S,5R)-3,5-dimethyl-1-adamantyl]acetate Traditional Name: (2S)-2-ammonio-2-[(3S,5R)-3,5-dimethyl-1-adamantyl]acetate Formula: C14H23NO2 MolecularWeight: 237.33792

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(C(=O)[O-])[NH3+])C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)[C@@H](C(=O)[O-])[NH3+])C

InChI

InChI=1S/C14H23NO2/c1-12-3-9-4-13(2,6-12)8-14(5-9,7-12)10(15)11(16)17/h9-10H,3-8,15H2,1-2H3,(H,16,17)/t9?,10-,12-,13+,14?/m1/s1