[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-ylidene]methanediamine

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-ylidene]methanediamine Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-ylidene]methanediamine CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumylidene]methanediamine IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-ylidene]methanediamine Traditional Name: [amino-(4-piperonylpiperazine-1,4-diium-1-ylidene)methyl]amine Formula: C13H20N4O2+2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(N)N)CC[NH+]1CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[N+](=C(N)N)CC[NH+]1CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H18N4O2/c14-13(15)17-5-3-16(4-6-17)8-10-1-2-11-12(7-10)19-9-18-11/h1-2,7H,3-6,8-9H2,(H3,14,15)/p+2