2-[2-[2-[2-(2-isoquinolin-2-ium-2-ylethylsulfanyl)ethoxy]ethylsulfanyl]ethyl]isoquinolin-2-ium

Systemtic Name: 2-[2-[2-[2-(2-isoquinolin-2-ium-2-ylethylsulfanyl)ethoxy]ethylsulfanyl]ethyl]isoquinolin-2-ium Openeye Name: 2-[2-[2-[2-(2-isoquinolin-2-ium-2-ylethylsulfanyl)ethoxy]ethylsulfanyl]ethyl]isoquinolin-2-ium CAS Name: 2-[2-[2-[2-[2-(2-isoquinolin-2-iumyl)ethylthio]ethoxy]ethylthio]ethyl]isoquinolin-2-ium IUPAC Name: 2-[2-[2-[2-(2-isoquinolin-2-ium-2-ylethylsulfanyl)ethoxy]ethylsulfanyl]ethyl]isoquinolin-2-ium Traditional Name: 2-[2-[2-[2-(2-isoquinolin-2-ium-2-ylethylthio)ethoxy]ethylthio]ethyl]isoquinolin-2-ium Formula: C26H30N2OS2+2 MolecularWeight: 450.6592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2OS2/c1-3-7-25-21-27(11-9-23(25)5-1)13-17-30-19-15-29-16-20-31-18-14-28-12-10-24-6-2-4-8-26(24)22-28/h1-12,21-22H,13-20H2/q+2