1-isoquinolin-1-yl-2-(phenylmethyl)isoquinolin-2-ium perchlorate

Systemtic Name: 1-isoquinolin-1-yl-2-(phenylmethyl)isoquinolin-2-ium perchlorate Openeye Name: 2-benzyl-1-(1-isoquinolyl)isoquinolin-2-ium perchlorate CAS Name: 1-(1-isoquinolinyl)-2-(phenylmethyl)isoquinolin-2-ium perchlorate IUPAC Name: 2-benzyl-1-isoquinolin-1-ylisoquinolin-2-ium perchlorate Traditional Name: 2-benzyl-1-(1-isoquinolyl)isoquinolin-2-ium perchlorate Formula: C25H19ClN2O4 MolecularWeight: 446.88236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(C3=CC=CC=C3C=C2)C4=NC=CC5=CC=CC=C54.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(C3=CC=CC=C3C=C2)C4=NC=CC5=CC=CC=C54.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H19N2.ClHO4/c1-2-8-19(9-3-1)18-27-17-15-21-11-5-7-13-23(21)25(27)24-22-12-6-4-10-20(22)14-16-26-24;2-1(3,4)5/h1-17H,18H2;(H,2,3,4,5)/q+1;/p-1