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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-piperonyl-1,4-diazepane-1,4-diium Formula: C14H22N2O2+2 MolecularWeight: 250.33668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-15-5-2-6-16(8-7-15)10-12-3-4-13-14(9-12)18-11-17-13/h3-4,9H,2,5-8,10-11H2,1H3/p+2