3-[4-(benzotriazol-1-ylmethyl)piperazine-1,4-diium-1-yl]propanenitrile

Systemtic Name: 3-[4-(benzotriazol-1-ylmethyl)piperazine-1,4-diium-1-yl]propanenitrile Openeye Name: 3-[4-(benzotriazol-1-ylmethyl)piperazine-1,4-diium-1-yl]propanenitrile CAS Name: 3-[4-(1-benzotriazolylmethyl)-1-piperazine-1,4-diiumyl]propanenitrile IUPAC Name: 3-[4-(benzotriazol-1-ylmethyl)piperazine-1,4-diium-1-yl]propanenitrile Traditional Name: 3-[4-(benzotriazol-1-ylmethyl)piperazine-1,4-diium-1-yl]propionitrile Formula: C14H20N6+2 MolecularWeight: 272.3488

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCC#N)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C1C[NH+](CC[NH+]1CCC#N)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H18N6/c15-6-3-7-18-8-10-19(11-9-18)12-20-14-5-2-1-4-13(14)16-17-20/h1-2,4-5H,3,7-12H2/p+2