1-oxidanidyl-2-[1-(3,4,5-trimethylphenyl)octylsulfanyl]pyridin-1-ium

Systemtic Name: 1-oxidanidyl-2-[1-(3,4,5-trimethylphenyl)octylsulfanyl]pyridin-1-ium Openeye Name: 1-oxido-2-[1-(3,4,5-trimethylphenyl)octylsulfanyl]pyridin-1-ium CAS Name: 1-oxido-2-[1-(3,4,5-trimethylphenyl)octylthio]pyridin-1-ium IUPAC Name: 1-oxido-2-[1-(3,4,5-trimethylphenyl)octylsulfanyl]pyridin-1-ium Traditional Name: 1-oxido-2-[1-(3,4,5-trimethylphenyl)octylthio]pyridin-1-ium Formula: C22H31NOS MolecularWeight: 357.55264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1=CC(=C(C(=C1)C)C)C)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCCCCCCC(C1=CC(=C(C(=C1)C)C)C)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C22H31NOS/c1-5-6-7-8-9-12-21(25-22-13-10-11-14-23(22)24)20-15-17(2)19(4)18(3)16-20/h10-11,13-16,21H,5-9,12H2,1-4H3