(5S,7R)-3-chloranyl-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-(6-morpholinopyridin-1-ium-3-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[6-(4-morpholinyl)-3-pyridin-1-iumyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-(6-morpholin-4-ylpyridin-1-ium-3-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-(6-morpholinopyridin-1-ium-3-yl)adamantane-1-carboxamide Formula: C20H27ClN3O2+ MolecularWeight: 376.90028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C20H26ClN3O2/c21-20-10-14-7-15(11-20)9-19(8-14,13-20)18(25)23-16-1-2-17(22-12-16)24-3-5-26-6-4-24/h1-2,12,14-15H,3-11,13H2,(H,23,25)/p+1/t14-,15+,19?,20?