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

Systemtic Name: 2-(benzotriazol-1-ylmethyl)isoquinolin-2-ium chloride Openeye Name: 2-(benzotriazol-1-ylmethyl)isoquinolin-2-ium chloride CAS Name: 2-(1-benzotriazolylmethyl)isoquinolin-2-ium chloride IUPAC Name: 2-(benzotriazol-1-ylmethyl)isoquinolin-2-ium chloride Traditional Name: 2-(benzotriazol-1-ylmethyl)isoquinolin-2-ium chloride Formula: C16H13ClN4 MolecularWeight: 296.75422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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