1-methyl-7-phenethylsulfanyl-quinolin-1-ium

Systemtic Name: 1-methyl-7-phenethylsulfanyl-quinolin-1-ium Openeye Name: 1-methyl-7-phenethylsulfanyl-quinolin-1-ium CAS Name: 1-methyl-7-(phenethylthio)quinolin-1-ium IUPAC Name: 1-methyl-7-phenethylsulfanylquinolin-1-ium Traditional Name: 1-methyl-7-(phenethylthio)quinolin-1-ium Formula: C18H18NS+ MolecularWeight: 280.40722

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=C(C=C2)SCCC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CC=CC2=C1C=C(C=C2)SCCC3=CC=CC=C3

InChI

InChI=1S/C18H18NS/c1-19-12-5-8-16-9-10-17(14-18(16)19)20-13-11-15-6-3-2-4-7-15/h2-10,12,14H,11,13H2,1H3/q+1