2-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1H-1,2,4-triazol-4-ium-5-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1H-1,2,4-triazol-4-ium-5-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1H-1,2,4-triazol-4-ium-5-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1H-1,2,4-triazol-4-ium-5-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1H-1,2,4-triazol-4-ium-5-one Traditional Name: 4-methyl-2-piperonyl-1H-1,2,4-triazol-4-ium-5-one Formula: C11H12N3O3+ MolecularWeight: 234.23128

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(NC1=O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[N+]1=CN(NC1=O)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C11H11N3O3/c1-13-6-14(12-11(13)15)5-8-2-3-9-10(4-8)17-7-16-9/h2-4,6H,5,7H2,1H3/p+1