1-[[4-(benzotriazol-1-ylmethyl)piperazin-1-ium-1-yl]methyl]benzotriazole

Systemtic Name: 1-[[4-(benzotriazol-1-ylmethyl)piperazin-1-ium-1-yl]methyl]benzotriazole Openeye Name: 1-[[4-(benzotriazol-1-ylmethyl)piperazin-1-ium-1-yl]methyl]benzotriazole CAS Name: 1-[[4-(1-benzotriazolylmethyl)-1-piperazin-1-iumyl]methyl]benzotriazole IUPAC Name: 1-[[4-(benzotriazol-1-ylmethyl)piperazin-1-ium-1-yl]methyl]benzotriazole Traditional Name: 1-[[4-(benzotriazol-1-ylmethyl)piperazin-1-ium-1-yl]methyl]benzotriazole Formula: C18H21N8+ MolecularWeight: 349.41294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C18H20N8/c1-3-7-17-15(5-1)19-21-25(17)13-23-9-11-24(12-10-23)14-26-18-8-4-2-6-16(18)20-22-26/h1-8H,9-14H2/p+1