1,2-bis(phenylmethyl)-3,4-dihydroisoquinolin-2-ium bromide

Systemtic Name: 1,2-bis(phenylmethyl)-3,4-dihydroisoquinolin-2-ium bromide Openeye Name: 1,2-dibenzyl-3,4-dihydroisoquinolin-2-ium bromide CAS Name: 1,2-bis(phenylmethyl)-3,4-dihydroisoquinolin-2-ium bromide IUPAC Name: 1,2-dibenzyl-3,4-dihydroisoquinolin-2-ium bromide Traditional Name: 1,2-dibenzyl-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)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1C[N+](=C(C2=CC=CC=C21)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

InChI

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