6,7-bis(phenylmethoxy)-2-(phenylmethyl)-1-propyl-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 6,7-bis(phenylmethoxy)-2-(phenylmethyl)-1-propyl-3,4-dihydroisoquinolin-2-ium Openeye Name: 2-benzyl-6,7-dibenzyloxy-1-propyl-3,4-dihydroisoquinolin-2-ium CAS Name: 6,7-bis(phenylmethoxy)-2-(phenylmethyl)-1-propyl-3,4-dihydroisoquinolin-2-ium IUPAC Name: 2-benzyl-6,7-bis(phenylmethoxy)-1-propyl-3,4-dihydroisoquinolin-2-ium Traditional Name: 6,7-dibenzoxy-2-benzyl-1-propyl-3,4-dihydroisoquinolin-2-ium Formula: C33H34NO2+ MolecularWeight: 476.62856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](CCC2=CC(=C(C=C21)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCCC1=[N+](CCC2=CC(=C(C=C21)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C33H34NO2/c1-2-12-31-30-22-33(36-25-28-17-10-5-11-18-28)32(35-24-27-15-8-4-9-16-27)21-29(30)19-20-34(31)23-26-13-6-3-7-14-26/h3-11,13-18,21-22H,2,12,19-20,23-25H2,1H3/q+1