1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium Traditional Name: (4-keto-1,2,3-benzotriazin-3-yl)methyl-methyl-piperonyl-ammonium Formula: C17H17N4O3+ MolecularWeight: 325.34188

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H16N4O3/c1-20(9-12-6-7-15-16(8-12)24-11-23-15)10-21-17(22)13-4-2-3-5-14(13)18-19-21/h2-8H,9-11H2,1H3/p+1