isoquinolin-2-ium; 2-methyl-4-phenyl-benzo[a]quinolizin-5-ium; diperchlorate

Systemtic Name: isoquinolin-2-ium; 2-methyl-4-phenyl-benzo[a]quinolizin-5-ium; diperchlorate Openeye Name: isoquinolin-2-ium; 2-methyl-4-phenyl-benzo[a]quinolizin-5-ium; diperchlorate CAS Name: isoquinolin-2-ium; 2-methyl-4-phenylbenzo[a]quinolizin-5-ium; diperchlorate IUPAC Name: isoquinolin-2-ium; 2-methyl-4-phenylbenzo[a]quinolizin-5-ium; diperchlorate Traditional Name: isoquinolin-2-ium; 2-methyl-4-phenyl-benzo[a]quinolizin-5-ium; diperchlorate Formula: C29H24Cl2N2O8 MolecularWeight: 599.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C=CC3=CC=CC=C32)C(=C1)C4=CC=CC=C4.C1=CC=C2C=[NH+]C=CC2=C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC2=[N+](C=CC3=CC=CC=C32)C(=C1)C4=CC=CC=C4.C1=CC=C2C=[NH+]C=CC2=C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H16N.C9H7N.2ClHO4/c1-15-13-19(17-8-3-2-4-9-17)21-12-11-16-7-5-6-10-18(16)20(21)14-15;1-2-4-9-7-10-6-5-8(9)3-1;2*2-1(3,4)5/h2-14H,1H3;1-7H;2*(H,2,3,4,5)/q+1;;;/p-1