1-[2,2-bis(methylsulfanyl)ethenyl]-2-methyl-isoquinolin-2-ium

Systemtic Name: 1-[2,2-bis(methylsulfanyl)ethenyl]-2-methyl-isoquinolin-2-ium Openeye Name: 1-[2,2-bis(methylsulfanyl)vinyl]-2-methyl-isoquinolin-2-ium CAS Name: 1-[2,2-bis(methylthio)ethenyl]-2-methylisoquinolin-2-ium IUPAC Name: 1-[2,2-bis(methylsulfanyl)ethenyl]-2-methylisoquinolin-2-ium Traditional Name: 1-[2,2-bis(methylthio)vinyl]-2-methyl-isoquinolin-2-ium Formula: C14H16NS2+ MolecularWeight: 262.41354

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2C=C1)C=C(SC)SC

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2C=C1)C=C(SC)SC

InChI

InChI=1S/C14H16NS2/c1-15-9-8-11-6-4-5-7-12(11)13(15)10-14(16-2)17-3/h4-10H,1-3H3/q+1