1-(7-bromanyl-1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-(7-bromanyl-1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-(7-bromo-1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-(7-bromo-1,3-benzodioxol-5-yl)-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-(7-bromo-1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-(7-bromo-1,3-benzodioxol-5-yl)methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C13H17BrN3O2+ MolecularWeight: 327.19698

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CC3=C(C(=C2)Br)OCO3

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CC3=C(C(=C2)Br)OCO3

InChI

InChI=1S/C13H16BrN3O2/c1-16-2-4-17(5-3-16)15-8-10-6-11(14)13-12(7-10)18-9-19-13/h6-8H,2-5,9H2,1H3/p+1/b15-8-