3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanidyl-1,2,4-benzotriazin-1-ium

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanidyl-1,2,4-benzotriazin-1-ium Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxido-1,2,4-benzotriazin-1-ium CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxido-1,2,4-benzotriazin-1-ium IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxido-1,2,4-benzotriazin-1-ium Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxido-1,2,4-benzotriazin-1-ium Formula: C16H14N4O MolecularWeight: 278.30856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C16H14N4O/c21-20-15-8-4-3-7-14(15)17-16(18-20)19-10-9-12-5-1-2-6-13(12)11-19/h1-8H,9-11H2