3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,3-benzotriazin-4-one

Systemtic Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,3-benzotriazin-4-one Openeye Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,3-benzotriazin-4-one CAS Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,3-benzotriazin-4-one IUPAC Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,3-benzotriazin-4-one Traditional Name: 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,3-benzotriazin-4-one Formula: C17H17N4O+ MolecularWeight: 293.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H16N4O/c22-17-15-7-3-4-8-16(15)18-19-21(17)12-20-10-9-13-5-1-2-6-14(13)11-20/h1-8H,9-12H2/p+1