3-[4-(benzotriazol-1-ylmethyl)piperazin-4-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(benzotriazol-1-ylmethyl)piperazin-4-ium-1-yl]propanenitrile Openeye Name: 3-[4-(benzotriazol-1-ylmethyl)piperazin-4-ium-1-yl]propanenitrile CAS Name: 3-[4-(1-benzotriazolylmethyl)-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 3-[4-(benzotriazol-1-ylmethyl)piperazin-4-ium-1-yl]propanenitrile Traditional Name: 3-[4-(benzotriazol-1-ylmethyl)piperazin-4-ium-1-yl]propionitrile Formula: C14H19N6+ MolecularWeight: 271.34086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)CCC#N

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)CCC#N

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+1