1-(1,3-benzodioxol-5-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (Z)-piperonylidene-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C17H19N4O2+ MolecularWeight: 311.35836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)N=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)/N=C\C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H18N4O2/c1-2-6-18-17(3-1)20-7-9-21(10-8-20)19-12-14-4-5-15-16(11-14)23-13-22-15/h1-6,11-12H,7-10,13H2/p+1/b19-12-