2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine chloride hydrate

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine chloride hydrate Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine chloride hydrate CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine chloride hydrate IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine chloride hydrate Traditional Name: 2-(4-piperonylpiperazino)pyrimidine chloride hydrate Formula: C16H20ClN4O3- MolecularWeight: 351.808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4.O.[Cl-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4.O.[Cl-]

InChI

InChI=1S/C16H18N4O2.ClH.H2O/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14;;/h1-5,10H,6-9,11-12H2;1H;1H2/p-1