2-(benzotriazol-1-ylmethyl)isoquinolin-2-ium perchlorate

Systemtic Name: 2-(benzotriazol-1-ylmethyl)isoquinolin-2-ium perchlorate Openeye Name: 2-(benzotriazol-1-ylmethyl)isoquinolin-2-ium perchlorate CAS Name: 2-(1-benzotriazolylmethyl)isoquinolin-2-ium perchlorate IUPAC Name: 2-(benzotriazol-1-ylmethyl)isoquinolin-2-ium perchlorate Traditional Name: 2-(benzotriazol-1-ylmethyl)isoquinolin-2-ium perchlorate Formula: C16H13ClN4O4 MolecularWeight: 360.75182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CN3C4=CC=CC=C4N=N3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CN3C4=CC=CC=C4N=N3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H13N4.ClHO4/c1-2-6-14-11-19(10-9-13(14)5-1)12-20-16-8-4-3-7-15(16)17-18-20;2-1(3,4)5/h1-11H,12H2;(H,2,3,4,5)/q+1;/p-1