[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-ylidene]methanediamine

Systemtic Name: [4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-ylidene]methanediamine Openeye Name: [4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-ylidene]methanediamine CAS Name: [4-(1,3-benzodioxol-5-yl)-1-piperazin-1-iumylidene]methanediamine IUPAC Name: [4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-ylidene]methanediamine Traditional Name: [amino-[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-ylidene]methyl]amine Formula: C12H17N4O2+ MolecularWeight: 249.28898

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(N)N)CCN1C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[N+](=C(N)N)CCN1C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H16N4O2/c13-12(14)16-5-3-15(4-6-16)9-1-2-10-11(7-9)18-8-17-10/h1-2,7H,3-6,8H2,(H3,13,14)/p+1