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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-(1,3-benzodioxol-5-yl)-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-(4-methylpiperazin-4-ium-1-yl)-piperonylidene-amine Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2/c1-15-4-6-16(7-5-15)14-9-11-2-3-12-13(8-11)18-10-17-12/h2-3,8-9H,4-7,10H2,1H3/p+1/b14-9-