2-[[3-(isoquinolin-2-ium-2-ylmethyl)-2,4,6-trimethyl-phenyl]methyl]isoquinolin-2-ium

Systemtic Name: 2-[[3-(isoquinolin-2-ium-2-ylmethyl)-2,4,6-trimethyl-phenyl]methyl]isoquinolin-2-ium Openeye Name: 2-[[3-(isoquinolin-2-ium-2-ylmethyl)-2,4,6-trimethyl-phenyl]methyl]isoquinolin-2-ium CAS Name: 2-[[3-(2-isoquinolin-2-iumylmethyl)-2,4,6-trimethylphenyl]methyl]isoquinolin-2-ium IUPAC Name: 2-[[3-(isoquinolin-2-ium-2-ylmethyl)-2,4,6-trimethylphenyl]methyl]isoquinolin-2-ium Traditional Name: 2-[3-(isoquinolin-2-ium-2-ylmethyl)-2,4,6-trimethyl-benzyl]isoquinolin-2-ium Formula: C29H28N2+2 MolecularWeight: 404.54602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C[N+]2=CC3=CC=CC=C3C=C2)C)C[N+]4=CC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1C[N+]2=CC3=CC=CC=C3C=C2)C)C[N+]4=CC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C29H28N2/c1-21-16-22(2)29(20-31-15-13-25-9-5-7-11-27(25)18-31)23(3)28(21)19-30-14-12-24-8-4-6-10-26(24)17-30/h4-18H,19-20H2,1-3H3/q+2