1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-2-(1-oxidanidylpyridin-1-ium-3-yl)indole

Systemtic Name: 1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-2-(1-oxidanidylpyridin-1-ium-3-yl)indole Openeye Name: 1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-2-(1-oxidopyridin-1-ium-3-yl)indole CAS Name: 1-[(4-fluorophenyl)methyl]-2-(1-oxido-3-pyridin-1-iumyl)-5-indolesulfenic acid methoxy ester IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-2-(1-oxidopyridin-1-ium-3-yl)indole Traditional Name: 1-(4-fluorobenzyl)-5-(methylperoxythio)-2-(1-oxidopyridin-1-ium-3-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=C[N+](=CC=C3)[O-])CC4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

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