(3S,5R)-4-azaniumyladamantane-1,4-dicarboxylate

Systemtic Name: (3S,5R)-4-azaniumyladamantane-1,4-dicarboxylate Openeye Name: (3S,5R)-4-azaniumyladamantane-1,4-dicarboxylate CAS Name: (3S,5R)-4-ammonioadamantane-1,4-dicarboxylate IUPAC Name: (3S,5R)-4-azaniumyladamantane-1,4-dicarboxylate Traditional Name: (3S,5R)-4-ammonioadamantane-1,4-dicarboxylate Formula: C12H16NO4- MolecularWeight: 238.25974

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3(C(=O)[O-])[NH3+])C(=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2(C(=O)[O-])[NH3+])CC1C3)C(=O)[O-]

InChI

InChI=1S/C12H17NO4/c13-12(10(16)17)7-1-6-2-8(12)5-11(3-6,4-7)9(14)15/h6-8H,1-5,13H2,(H,14,15)(H,16,17)/p-1/t6?,7-,8+,11?,12?