2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide Formula: C22H31BrN3O2+ MolecularWeight: 449.40444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H30BrN3O2/c23-22-10-17-7-18(11-22)9-21(8-17,15-22)12-20(27)25-14-16-1-2-19(24-13-16)26-3-5-28-6-4-26/h1-2,13,17-18H,3-12,14-15H2,(H,25,27)/p+1/t17-,18+,21?,22?