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

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]benzotriazole Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]benzotriazole CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]benzotriazole IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]benzotriazole Traditional Name: 1-[(4-piperonylpiperazin-1-ium-1-yl)methyl]benzotriazole Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H21N5O2/c1-2-4-17-16(3-1)20-21-24(17)13-23-9-7-22(8-10-23)12-15-5-6-18-19(11-15)26-14-25-18/h1-6,11H,7-10,12-14H2/p+1