2-piperidin-1-yl-1-[6-(2-piperidin-1-ylethanoyl)-1,2-dihydroacenaphthylen-3-yl]ethanone hydrate dihydrochloride

Systemtic Name: 2-piperidin-1-yl-1-[6-(2-piperidin-1-ylethanoyl)-1,2-dihydroacenaphthylen-3-yl]ethanone hydrate dihydrochloride Openeye Name: 2-(1-piperidyl)-1-[6-[2-(1-piperidyl)acetyl]-1,2-dihydroacenaphthylen-3-yl]ethanone hydrate dihydrochloride CAS Name: 1-[6-[1-oxo-2-(1-piperidinyl)ethyl]-1,2-dihydroacenaphthylen-3-yl]-2-(1-piperidinyl)ethanone hydrate dihydrochloride IUPAC Name: 2-piperidin-1-yl-1-[6-(2-piperidin-1-ylacetyl)-1,2-dihydroacenaphthylen-3-yl]ethanone hydrate dihydrochloride Traditional Name: 2-piperidino-1-[6-(2-piperidinoacetyl)acenaphthen-3-yl]ethanone hydrate dihydrochloride Formula: C26H36Cl2N2O3 MolecularWeight: 495.48164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(=O)C2=C3CCC4=C3C(=C(C=C4)C(=O)CN5CCCCC5)C=C2.O.Cl.Cl

Isomeric SMILES

C1CCN(CC1)CC(=O)C2=C3CCC4=C3C(=C(C=C4)C(=O)CN5CCCCC5)C=C2.O.Cl.Cl

InChI

InChI=1S/C26H32N2O2.2ClH.H2O/c29-24(17-27-13-3-1-4-14-27)20-9-7-19-8-10-22-21(11-12-23(20)26(19)22)25(30)18-28-15-5-2-6-16-28;;;/h7,9,11-12H,1-6,8,10,13-18H2;2*1H;1H2