2-methyl-1-[[4-[4-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenoxy]phenyl]methyl]isoquinolin-2-ium

Systemtic Name: 2-methyl-1-[[4-[4-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenoxy]phenyl]methyl]isoquinolin-2-ium Openeye Name: 2-methyl-1-[[4-[4-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenoxy]phenyl]methyl]isoquinolin-2-ium CAS Name: 2-methyl-1-[[4-[4-[(2-methyl-1-isoquinolin-2-iumyl)methyl]phenoxy]phenyl]methyl]isoquinolin-2-ium IUPAC Name: 2-methyl-1-[[4-[4-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenoxy]phenyl]methyl]isoquinolin-2-ium Traditional Name: 2-methyl-1-[4-[4-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenoxy]benzyl]isoquinolin-2-ium Formula: C34H30N2O+2 MolecularWeight: 482.6148

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=C(C=C3)OC4=CC=C(C=C4)CC5=[N+](C=CC6=CC=CC=C65)C

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=C(C=C3)OC4=CC=C(C=C4)CC5=[N+](C=CC6=CC=CC=C65)C

InChI

InChI=1S/C34H30N2O/c1-35-21-19-27-7-3-5-9-31(27)33(35)23-25-11-15-29(16-12-25)37-30-17-13-26(14-18-30)24-34-32-10-6-4-8-28(32)20-22-36(34)2/h3-22H,23-24H2,1-2H3/q+2