3-(diethylamino)-1-[7-[3-(diethylamino)propanoyl]-9H-xanthen-2-yl]propan-1-one hydrate dihydrochloride

Systemtic Name: 3-(diethylamino)-1-[7-[3-(diethylamino)propanoyl]-9H-xanthen-2-yl]propan-1-one hydrate dihydrochloride Openeye Name: 3-(diethylamino)-1-[7-[3-(diethylamino)propanoyl]-9H-xanthen-2-yl]propan-1-one hydrate dihydrochloride CAS Name: 3-(diethylamino)-1-[7-[3-(diethylamino)-1-oxopropyl]-9H-xanthen-2-yl]-1-propanone hydrate dihydrochloride IUPAC Name: 3-(diethylamino)-1-[7-[3-(diethylamino)propanoyl]-9H-xanthen-2-yl]propan-1-one hydrate dihydrochloride Traditional Name: 3-(diethylamino)-1-[7-[3-(diethylamino)propanoyl]-9H-xanthen-2-yl]propan-1-one hydrate dihydrochloride Formula: C27H40Cl2N2O4 MolecularWeight: 527.5235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(=O)C1=CC2=C(C=C1)OC3=C(C2)C=C(C=C3)C(=O)CCN(CC)CC.O.Cl.Cl

Isomeric SMILES

CCN(CC)CCC(=O)C1=CC2=C(C=C1)OC3=C(C2)C=C(C=C3)C(=O)CCN(CC)CC.O.Cl.Cl

InChI

InChI=1S/C27H36N2O3.2ClH.H2O/c1-5-28(6-2)15-13-24(30)20-9-11-26-22(17-20)19-23-18-21(10-12-27(23)32-26)25(31)14-16-29(7-3)8-4;;;/h9-12,17-18H,5-8,13-16,19H2,1-4H3;2*1H;1H2