1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-2-methyl-7-(4-methylphenoxy)isoquinolin-2-ium

Systemtic Name: 1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-2-methyl-7-(4-methylphenoxy)isoquinolin-2-ium Openeye Name: 1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-2-methyl-7-(4-methylphenoxy)isoquinolin-2-ium CAS Name: 1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-2-methyl-7-(4-methylphenoxy)isoquinolin-2-ium IUPAC Name: 1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-2-methyl-7-(4-methylphenoxy)isoquinolin-2-ium Traditional Name: 1-[3-methoxy-4-(4-methylphenoxy)benzyl]-2-methyl-7-(4-methylphenoxy)isoquinolin-2-ium Formula: C32H30NO3+ MolecularWeight: 476.5855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC3=C(C=C2)C=C[N+](=C3CC4=CC(=C(C=C4)OC5=CC=C(C=C5)C)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC3=C(C=C2)C=C[N+](=C3CC4=CC(=C(C=C4)OC5=CC=C(C=C5)C)OC)C

InChI

InChI=1S/C32H30NO3/c1-22-5-11-26(12-6-22)35-28-15-10-25-17-18-33(3)30(29(25)21-28)19-24-9-16-31(32(20-24)34-4)36-27-13-7-23(2)8-14-27/h5-18,20-21H,19H2,1-4H3/q+1