4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinazoline hydrate dihydrochloride

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinazoline hydrate dihydrochloride Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinazoline hydrate dihydrochloride CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]quinazoline hydrate dihydrochloride IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinazoline hydrate dihydrochloride Traditional Name: 4-(4-piperonylpiperazino)quinazoline hydrate dihydrochloride Formula: C20H24Cl2N4O3 MolecularWeight: 439.33556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=CC=CC=C54.O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=CC=CC=C54.O.Cl.Cl

InChI

InChI=1S/C20H20N4O2.2ClH.H2O/c1-2-4-17-16(3-1)20(22-13-21-17)24-9-7-23(8-10-24)12-15-5-6-18-19(11-15)26-14-25-18;;;/h1-6,11,13H,7-10,12,14H2;2*1H;1H2