2-(benzotriazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-(benzotriazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-(benzotriazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-(1-benzotriazolylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-(benzotriazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(benzotriazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C16H17N4+ MolecularWeight: 265.33298

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H16N4/c1-2-6-14-11-19(10-9-13(14)5-1)12-20-16-8-4-3-7-15(16)17-18-20/h1-8H,9-12H2/p+1