2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-piperazin-4-ium-1-yl]pyrimidine iodide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-piperazin-4-ium-1-yl]pyrimidine iodide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-piperazin-4-ium-1-yl]pyrimidine iodide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1-piperazin-4-iumyl]pyrimidine iodide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazin-4-ium-1-yl]pyrimidine iodide Traditional Name: 2-(4-methyl-4-piperonyl-piperazin-4-ium-1-yl)pyrimidine iodide Formula: C17H21IN4O2 MolecularWeight: 440.27871

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC=CC=N2)CC3=CC4=C(C=C3)OCO4.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC=CC=N2)CC3=CC4=C(C=C3)OCO4.[I-]

InChI

InChI=1S/C17H21N4O2.HI/c1-21(12-14-3-4-15-16(11-14)23-13-22-15)9-7-20(8-10-21)17-18-5-2-6-19-17;/h2-6,11H,7-10,12-13H2,1H3;1H/q+1;/p-1