4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1H-pyrazol-2-ium-3-amine Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1H-pyrazol-2-ium-3-amine CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1H-pyrazol-2-ium-3-amine IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1H-pyrazol-2-ium-3-amine Traditional Name: (2-methyl-4-piperonyl-1H-pyrazol-2-ium-3-yl)amine Formula: C12H14N3O2+ MolecularWeight: 232.25846

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=CN1)CC2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

C[N+]1=C(C(=CN1)CC2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C12H13N3O2/c1-15-12(13)9(6-14-15)4-8-2-3-10-11(5-8)17-7-16-10/h2-3,5-6H,4,7H2,1H3,(H2,13,14)/p+1