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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CN1)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[N+]1=C(C=CN1)NCC2=CC3=C(C=C2)OCO3

InChI

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