1-[[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-yl]methyl]benzotriazole

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-yl]methyl]benzotriazole Openeye Name: 1-[[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-yl]methyl]benzotriazole CAS Name: 1-[[4-(1,3-benzodioxol-5-yl)-1-piperazin-1-iumyl]methyl]benzotriazole IUPAC Name: 1-[[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-yl]methyl]benzotriazole Traditional Name: 1-[[4-(1,3-benzodioxol-5-yl)piperazin-1-ium-1-yl]methyl]benzotriazole Formula: C18H20N5O2+ MolecularWeight: 338.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H19N5O2/c1-2-4-16-15(3-1)19-20-23(16)12-21-7-9-22(10-8-21)14-5-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13H2/p+1