2-phenethyl-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide

Systemtic Name: 2-phenethyl-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide Openeye Name: 2-phenethyl-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide CAS Name: 2-phenethyl-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide IUPAC Name: 2-phenethyl-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide Traditional Name: 2-phenethyl-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide Formula: C23H22BrN MolecularWeight: 392.33148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(C2=CC=CC=C21)C3=CC=CC=C3)CCC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1C[N+](=C(C2=CC=CC=C21)C3=CC=CC=C3)CCC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H22N.BrH/c1-3-9-19(10-4-1)15-17-24-18-16-20-11-7-8-14-22(20)23(24)21-12-5-2-6-13-21;/h1-14H,15-18H2;1H/q+1;/p-1