2-[1-(2,5-dimethylphenyl)octylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[1-(2,5-dimethylphenyl)octylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[1-(2,5-dimethylphenyl)octylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[1-(2,5-dimethylphenyl)octylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[1-(2,5-dimethylphenyl)octylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[1-(2,5-dimethylphenyl)octylthio]-1-oxido-pyridin-1-ium Formula: C21H29NOS MolecularWeight: 343.52606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NOS/c1-4-5-6-7-8-11-20(19-16-17(2)13-14-18(19)3)24-21-12-9-10-15-22(21)23/h9-10,12-16,20H,4-8,11H2,1-3H3