1-phenyl-4H-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-1-ol perchlorate

Systemtic Name: 1-phenyl-4H-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-1-ol perchlorate Openeye Name: 1-phenyl-4H-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-1-ol perchlorate CAS Name: 1-phenyl-4H-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-1-ol perchlorate IUPAC Name: 1-phenyl-4H-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-1-ol perchlorate Traditional Name: 1-phenyl-4H-[1,2,4]triazin[6,1-a]isoquinolin-5-ium-1-ol perchlorate Formula: C17H14ClN3O5 MolecularWeight: 375.76316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C3=[N+](C=CC4=CC=CC=C43)NC=N2)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2(C3=[N+](C=CC4=CC=CC=C43)NC=N2)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H14N3O.ClHO4/c21-17(14-7-2-1-3-8-14)16-15-9-5-4-6-13(15)10-11-20(16)19-12-18-17;2-1(3,4)5/h1-12,21H,(H,18,19);(H,2,3,4,5)/q+1;/p-1