3-[1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1H-pyridazin-6-one perchlorate

Systemtic Name: 3-[1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1H-pyridazin-6-one perchlorate Openeye Name: 3-[1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1H-pyridazin-6-one perchlorate CAS Name: 3-[1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]-1H-pyridazin-6-one perchlorate IUPAC Name: 3-[1-(3-chlorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-1H-pyridazin-6-one perchlorate Traditional Name: 3-[1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1H-pyridazin-6-one perchlorate Formula: C22H19Cl2N3O7 MolecularWeight: 508.30816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NNC(=O)C=C3)C4=CC(=CC=C4)Cl)OC)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NNC(=O)C=C3)C4=CC(=CC=C4)Cl)OC)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H18ClN3O3.ClHO4/c1-13-9-15-11-18(28-2)19(29-3)12-17(15)22(14-5-4-6-16(23)10-14)26(13)20-7-8-21(27)25-24-20;2-1(3,4)5/h4-12H,1-3H3;(H,2,3,4,5)