1-[[3-(benzotriazol-1-ylmethyl)-1,3-diazinan-1-ium-1-yl]methyl]benzotriazole

Systemtic Name: 1-[[3-(benzotriazol-1-ylmethyl)-1,3-diazinan-1-ium-1-yl]methyl]benzotriazole Openeye Name: 1-[[3-(benzotriazol-1-ylmethyl)hexahydropyrimidin-1-ium-1-yl]methyl]benzotriazole CAS Name: 1-[[3-(1-benzotriazolylmethyl)-1,3-diazinan-1-ium-1-yl]methyl]benzotriazole IUPAC Name: 1-[[3-(benzotriazol-1-ylmethyl)-1,3-diazinan-1-ium-1-yl]methyl]benzotriazole Traditional Name: 1-[[3-(benzotriazol-1-ylmethyl)hexahydropyrimidin-1-ium-1-yl]methyl]benzotriazole Formula: C18H21N8+ MolecularWeight: 349.41294

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CN(C1)CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1C[NH+](CN(C1)CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

InChI

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