(2-methoxyquinolin-4-yl)-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]methanone

Systemtic Name: (2-methoxyquinolin-4-yl)-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]methanone Openeye Name: [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)-1-piperidyl]-(2-methoxy-4-quinolyl)methanone CAS Name: [(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidin-1-iumyl)-1-piperidinyl]-(2-methoxy-4-quinolinyl)methanone IUPAC Name: [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone Traditional Name: [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidino]-(2-methoxy-4-quinolyl)methanone Formula: C21H28N3O4+ MolecularWeight: 386.46472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCC(C(C3)O)[NH+]4CCC(CC4)O

Isomeric SMILES

COC1=NC2=CC=CC=C2C(=C1)C(=O)N3CC[C@H]([C@@H](C3)O)[NH+]4CCC(CC4)O

InChI

InChI=1S/C21H27N3O4/c1-28-20-12-16(15-4-2-3-5-17(15)22-20)21(27)24-11-8-18(19(26)13-24)23-9-6-14(25)7-10-23/h2-5,12,14,18-19,25-26H,6-11,13H2,1H3/p+1/t18-,19-/m1/s1