1-(1-pyridin-1-ium-1-ylethyl)benzotriazole perchlorate

Systemtic Name: 1-(1-pyridin-1-ium-1-ylethyl)benzotriazole perchlorate Openeye Name: 1-(1-pyridin-1-ium-1-ylethyl)benzotriazole perchlorate CAS Name: 1-[1-(1-pyridin-1-iumyl)ethyl]benzotriazole perchlorate IUPAC Name: 1-(1-pyridin-1-ium-1-ylethyl)benzotriazole perchlorate Traditional Name: 1-(1-pyridin-1-ium-1-ylethyl)benzotriazole perchlorate Formula: C13H13ClN4O4 MolecularWeight: 324.71972

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=CC=CC=C2N=N1)[N+]3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(N1C2=CC=CC=C2N=N1)[N+]3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H13N4.ClHO4/c1-11(16-9-5-2-6-10-16)17-13-8-4-3-7-12(13)14-15-17;2-1(3,4)5/h2-11H,1H3;(H,2,3,4,5)/q+1;/p-1