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

Systemtic Name: 1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-2,2-dimethyl-7-(4-methylphenoxy)-3,4-dihydro-1H-isoquinolin-2-ium Openeye Name: 1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-2,2-dimethyl-7-(4-methylphenoxy)-3,4-dihydro-1H-isoquinolin-2-ium CAS Name: 1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-2,2-dimethyl-7-(4-methylphenoxy)-3,4-dihydro-1H-isoquinolin-2-ium IUPAC Name: 1-[[3-methoxy-4-(4-methylphenoxy)phenyl]methyl]-2,2-dimethyl-7-(4-methylphenoxy)-3,4-dihydro-1H-isoquinolin-2-ium Traditional Name: 1-[3-methoxy-4-(4-methylphenoxy)benzyl]-2,2-dimethyl-7-(4-methylphenoxy)-3,4-dihydro-1H-isoquinolin-2-ium Formula: C33H36NO3+ MolecularWeight: 494.64384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H36NO3/c1-23-6-12-27(13-7-23)36-29-16-11-26-18-19-34(3,4)31(30(26)22-29)20-25-10-17-32(33(21-25)35-5)37-28-14-8-24(2)9-15-28/h6-17,21-22,31H,18-20H2,1-5H3/q+1