N4-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-3,4-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-3,4-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-3,4-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-3,4-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)pyridin-1-ium-3,4-diamine Traditional Name: (3-aminopyridin-1-ium-4-yl)-piperonyl-amine Formula: C13H14N3O2+ MolecularWeight: 244.26916

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=[NH+]C=C3)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=[NH+]C=C3)N

InChI

InChI=1S/C13H13N3O2/c14-10-7-15-4-3-11(10)16-6-9-1-2-12-13(5-9)18-8-17-12/h1-5,7H,6,8,14H2,(H,15,16)/p+1