(2R)-2-azaniumyl-2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: (2R)-2-azaniumyl-2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (2R)-2-azaniumyl-2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: (2R)-2-ammonio-2-[(5S,7R)-3-bromo-1-adamantyl]acetate IUPAC Name: (2R)-2-azaniumyl-2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: (2R)-2-ammonio-2-[(5S,7R)-3-bromo-1-adamantyl]acetate Formula: C12H18BrNO2 MolecularWeight: 288.18082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18BrNO2/c13-12-4-7-1-8(5-12)3-11(2-7,6-12)9(14)10(15)16/h7-9H,1-6,14H2,(H,15,16)/t7-,8+,9-,11?,12?/m0/s1