2-(40-isoquinolin-2-ium-2-yltetracontyl)isoquinolin-2-ium

Systemtic Name: 2-(40-isoquinolin-2-ium-2-yltetracontyl)isoquinolin-2-ium Openeye Name: 2-(40-isoquinolin-2-ium-2-yltetracontyl)isoquinolin-2-ium CAS Name: 2-[40-(2-isoquinolin-2-iumyl)tetracontyl]isoquinolin-2-ium IUPAC Name: 2-(40-isoquinolin-2-ium-2-yltetracontyl)isoquinolin-2-ium Traditional Name: 2-(40-isoquinolin-2-ium-2-yltetracontyl)isoquinolin-2-ium Formula: C58H94N2+2 MolecularWeight: 819.38036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C58H94N2/c1(3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-49-59-51-47-55-43-37-39-45-57(55)53-59)2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42-50-60-52-48-56-44-38-40-46-58(56)54-60/h37-40,43-48,51-54H,1-36,41-42,49-50H2/q+2