2-methoxy-3-phenyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium perchlorate

Systemtic Name: 2-methoxy-3-phenyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium perchlorate Openeye Name: 2-methoxy-3-phenyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium perchlorate CAS Name: 2-methoxy-3-phenyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium perchlorate IUPAC Name: 2-methoxy-3-phenyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium perchlorate Traditional Name: 2-methoxy-3-phenyl-[1,2,4]triazin[3,2-a]isoquinolin-5-ium perchlorate Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=[N+]2C=CC3=CC=CC=C3C2=N1)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=C(N=[N+]2C=CC3=CC=CC=C3C2=N1)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H14N3O.ClHO4/c1-22-18-16(14-8-3-2-4-9-14)20-21-12-11-13-7-5-6-10-15(13)17(21)19-18;2-1(3,4)5/h2-12H,1H3;(H,2,3,4,5)/q+1;/p-1