1-methylsulfanyl-2-(phenylmethyl)isoquinolin-2-ium

Systemtic Name: 1-methylsulfanyl-2-(phenylmethyl)isoquinolin-2-ium Openeye Name: 2-benzyl-1-methylsulfanyl-isoquinolin-2-ium CAS Name: 1-(methylthio)-2-(phenylmethyl)isoquinolin-2-ium IUPAC Name: 2-benzyl-1-methylsulfanylisoquinolin-2-ium Traditional Name: 2-benzyl-1-(methylthio)isoquinolin-2-ium Formula: C17H16NS+ MolecularWeight: 266.38064

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[N+](C=CC2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CSC1=[N+](C=CC2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C17H16NS/c1-19-17-16-10-6-5-9-15(16)11-12-18(17)13-14-7-3-2-4-8-14/h2-12H,13H2,1H3/q+1