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

Systemtic Name: 2-methyl-1-[[4-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenyl]methyl]isoquinolin-2-ium Openeye Name: 2-methyl-1-[[4-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenyl]methyl]isoquinolin-2-ium CAS Name: 2-methyl-1-[[4-[(2-methyl-1-isoquinolin-2-iumyl)methyl]phenyl]methyl]isoquinolin-2-ium IUPAC Name: 2-methyl-1-[[4-[(2-methylisoquinolin-2-ium-1-yl)methyl]phenyl]methyl]isoquinolin-2-ium Traditional Name: 2-methyl-1-[4-[(2-methylisoquinolin-2-ium-1-yl)methyl]benzyl]isoquinolin-2-ium Formula: C28H26N2+2 MolecularWeight: 390.51944

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=C(C=C3)CC4=[N+](C=CC5=CC=CC=C54)C

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=C(C=C3)CC4=[N+](C=CC5=CC=CC=C54)C

InChI

InChI=1S/C28H26N2/c1-29-17-15-23-7-3-5-9-25(23)27(29)19-21-11-13-22(14-12-21)20-28-26-10-6-4-8-24(26)16-18-30(28)2/h3-18H,19-20H2,1-2H3/q+2