1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-2-(1-oxidanidylpyridin-1-ium-4-yl)indole

Systemtic Name: 1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-2-(1-oxidanidylpyridin-1-ium-4-yl)indole Openeye Name: 1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-2-(1-oxidopyridin-1-ium-4-yl)indole CAS Name: 1-[(4-fluorophenyl)methyl]-2-(1-oxido-4-pyridin-1-iumyl)-5-indolesulfenic acid methoxy ester IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-2-(1-oxidopyridin-1-ium-4-yl)indole Traditional Name: 1-(4-fluorobenzyl)-5-(methylperoxythio)-2-(1-oxidopyridin-1-ium-4-yl)indole Formula: C21H17FN2O3S MolecularWeight: 396.434683

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Descriptors Computed from Structure

Canonical SMILES:

COOSC1=CC2=C(C=C1)N(C(=C2)C3=CC=[N+](C=C3)[O-])CC4=CC=C(C=C4)F

Isomeric SMILES

COOSC1=CC2=C(C=C1)N(C(=C2)C3=CC=[N+](C=C3)[O-])CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN2O3S/c1-26-27-28-19-6-7-20-17(12-19)13-21(16-8-10-23(25)11-9-16)24(20)14-15-2-4-18(22)5-3-15/h2-13H,14H2,1H3