(5R,7S)-3-(2-azaniumylethyl)adamantane-1-carboxylate

Systemtic Name: (5R,7S)-3-(2-azaniumylethyl)adamantane-1-carboxylate Openeye Name: (5R,7S)-3-(2-azaniumylethyl)adamantane-1-carboxylate CAS Name: (5R,7S)-3-(2-ammonioethyl)-1-adamantanecarboxylate IUPAC Name: (5R,7S)-3-(2-azaniumylethyl)adamantane-1-carboxylate Traditional Name: (5R,7S)-3-(2-ammonioethyl)adamantane-1-carboxylate Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)[O-])CC[NH3+]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C(=O)[O-])CC[NH3+]

InChI

InChI=1S/C13H21NO2/c14-2-1-12-4-9-3-10(5-12)7-13(6-9,8-12)11(15)16/h9-10H,1-8,14H2,(H,15,16)/t9-,10+,12?,13?