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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-(1-oxidanidylpyridin-1-ium-4-yl)indole Openeye Name: 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-(1-oxidopyridin-1-ium-4-yl)indole CAS Name: 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-(1-oxido-4-pyridin-1-iumyl)indole IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-(1-oxidopyridin-1-ium-4-yl)indole Traditional Name: 1-(4-fluorobenzyl)-5-mesyl-2-(1-oxidopyridin-1-ium-4-yl)indole Formula: C21H17FN2O3S MolecularWeight: 396.434683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN2O3S/c1-28(26,27)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