1-(1,3-benzodioxol-5-ylmethyl)-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methyl-piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methyl-piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine-1,4-diium Traditional Name: 1-methyl-4-piperonyl-piperazine-1,4-diium Formula: C13H20N2O2+2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H18N2O2/c1-14-4-6-15(7-5-14)9-11-2-3-12-13(8-11)17-10-16-12/h2-3,8H,4-7,9-10H2,1H3/p+2