3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-1,2,3-benzotriazin-4-one Formula: C21H22N5O4+ MolecularWeight: 408.43048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H21N5O4/c27-20(13-26-21(28)16-3-1-2-4-17(16)22-23-26)25-9-7-24(8-10-25)12-15-5-6-18-19(11-15)30-14-29-18/h1-6,11H,7-10,12-14H2/p+1