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

Systemtic Name: (2R)-2-[(5S,7R)-3-bromanyl-1-adamantyl]-2-(cyclohexylazaniumyl)ethanoate Openeye Name: (2R)-2-[(5S,7R)-3-bromo-1-adamantyl]-2-(cyclohexylammonio)acetate CAS Name: (2R)-2-[(5S,7R)-3-bromo-1-adamantyl]-2-(cyclohexylammonio)acetate IUPAC Name: (2R)-2-[(5S,7R)-3-bromo-1-adamantyl]-2-(cyclohexylazaniumyl)acetate Traditional Name: (2R)-2-[(5S,7R)-3-bromo-1-adamantyl]-2-(cyclohexylammonio)acetate Formula: C18H28BrNO2 MolecularWeight: 370.32442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C(C(=O)[O-])C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C1CCC(CC1)[NH2+][C@@H](C(=O)[O-])C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C18H28BrNO2/c19-18-9-12-6-13(10-18)8-17(7-12,11-18)15(16(21)22)20-14-4-2-1-3-5-14/h12-15,20H,1-11H2,(H,21,22)/t12-,13+,15-,17?,18?/m0/s1