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

Systemtic Name: 1-isoquinolin-1-yl-2-(phenylmethyl)isoquinolin-2-ium Openeye Name: 2-benzyl-1-(1-isoquinolyl)isoquinolin-2-ium CAS Name: 1-(1-isoquinolinyl)-2-(phenylmethyl)isoquinolin-2-ium IUPAC Name: 2-benzyl-1-isoquinolin-1-ylisoquinolin-2-ium Traditional Name: 2-benzyl-1-(1-isoquinolyl)isoquinolin-2-ium Formula: C25H19N2+ MolecularWeight: 347.43176

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N2/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/h1-17H,18H2/q+1