4-(1,3-benzodioxol-5-yl)-1,1-dimethyl-piperazin-1-ium iodide

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1,1-dimethyl-piperazin-1-ium iodide Openeye Name: 4-(1,3-benzodioxol-5-yl)-1,1-dimethyl-piperazin-1-ium iodide CAS Name: 4-(1,3-benzodioxol-5-yl)-1,1-dimethylpiperazin-1-ium iodide IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1,1-dimethylpiperazin-1-ium iodide Traditional Name: 4-(1,3-benzodioxol-5-yl)-1,1-dimethyl-piperazin-1-ium iodide Formula: C13H19IN2O2 MolecularWeight: 362.20663

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC3=C(C=C2)OCO3)C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC3=C(C=C2)OCO3)C.[I-]

InChI

InChI=1S/C13H19N2O2.HI/c1-15(2)7-5-14(6-8-15)11-3-4-12-13(9-11)17-10-16-12;/h3-4,9H,5-8,10H2,1-2H3;1H/q+1;/p-1