2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxidanylidene-1H-quinoline-3-carboxylate hydrate dihydrochloride

Systemtic Name: 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxidanylidene-1H-quinoline-3-carboxylate hydrate dihydrochloride Openeye Name: 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxylate hydrate dihydrochloride CAS Name: 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxylate hydrate dihydrochloride IUPAC Name: 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxylate hydrate dihydrochloride Traditional Name: 4-keto-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-quinoline-3-carboxylate hydrate dihydrochloride Formula: C18H23Cl2N2O4- MolecularWeight: 402.29222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)C3=C(C(=O)C4=CC=CC=C4N3)C(=O)[O-].O.Cl.Cl

Isomeric SMILES

CN1C2CCC1CC(C2)C3=C(C(=O)C4=CC=CC=C4N3)C(=O)[O-].O.Cl.Cl

InChI

InChI=1S/C18H20N2O3.2ClH.H2O/c1-20-11-6-7-12(20)9-10(8-11)16-15(18(22)23)17(21)13-4-2-3-5-14(13)19-16;;;/h2-5,10-12H,6-9H2,1H3,(H,19,21)(H,22,23);2*1H;1H2/p-1