4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-1H-pyrazol-2-ium-3-amine Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-1H-pyrazol-2-ium-3-amine CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-1H-pyrazol-2-ium-3-amine IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-1H-pyrazol-2-ium-3-amine Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-1H-pyrazol-2-ium-3-yl]amine Formula: C13H16N3O2+ MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=CN1)CC2=CC3=C(C=C2)OCCO3)N

Isomeric SMILES

C[N+]1=C(C(=CN1)CC2=CC3=C(C=C2)OCCO3)N

InChI

InChI=1S/C13H15N3O2/c1-16-13(14)10(8-15-16)6-9-2-3-11-12(7-9)18-5-4-17-11/h2-3,7-8H,4-6H2,1H3,(H2,14,15)/p+1