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

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(4-piperonylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H21N5O3/c26-20-16-3-1-2-4-17(16)21-22-25(20)13-24-9-7-23(8-10-24)12-15-5-6-18-19(11-15)28-14-27-18/h1-6,11H,7-10,12-14H2/p+1