1-(4-chlorophenyl)-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-3-olate

Systemtic Name: 1-(4-chlorophenyl)-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-3-olate Openeye Name: 1-(4-chlorophenyl)-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-3-olate CAS Name: 1-(4-chlorophenyl)-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-3-olate IUPAC Name: 1-(4-chlorophenyl)-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-3-olate Traditional Name: 1-(4-chlorophenyl)-[1,2,4]triazin[6,1-a]isoquinolin-5-ium-3-olate Formula: C17H10ClN3O MolecularWeight: 307.7338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C[N+]3=NC(=NC(=C23)C4=CC=C(C=C4)Cl)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C[N+]3=NC(=NC(=C23)C4=CC=C(C=C4)Cl)[O-]

InChI

InChI=1S/C17H10ClN3O/c18-13-7-5-12(6-8-13)15-16-14-4-2-1-3-11(14)9-10-21(16)20-17(22)19-15/h1-10H