N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxy-propan-1-amine hydrate dihydrochloride

Systemtic Name: N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxy-propan-1-amine hydrate dihydrochloride Openeye Name: N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-(7-quinolyloxy)propan-1-amine hydrate dihydrochloride CAS Name: N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-(7-quinolinyloxy)-1-propanamine hydrate dihydrochloride IUPAC Name: N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-quinolin-7-yloxypropan-1-amine hydrate dihydrochloride Traditional Name: (6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl-[3-(7-quinolyloxy)propyl]amine hydrate dihydrochloride Formula: C22H28Cl2N2O5 MolecularWeight: 471.37412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(O2)CNCCCOC3=CC4=C(C=CC=N4)C=C3.O.Cl.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(O2)CNCCCOC3=CC4=C(C=CC=N4)C=C3.O.Cl.Cl

InChI

InChI=1S/C22H24N2O4.2ClH.H2O/c1-25-17-7-8-21-22(13-17)28-19(15-27-21)14-23-9-3-11-26-18-6-5-16-4-2-10-24-20(16)12-18;;;/h2,4-8,10,12-13,19,23H,3,9,11,14-15H2,1H3;2*1H;1H2