3-[5-fluoranyl-1-(pyridin-3-ylmethyl)indol-1-ium-1-yl]-1-methyl-1-oxidanyl-urea

Systemtic Name: 3-[5-fluoranyl-1-(pyridin-3-ylmethyl)indol-1-ium-1-yl]-1-methyl-1-oxidanyl-urea Openeye Name: 3-[5-fluoro-1-(3-pyridylmethyl)indol-1-ium-1-yl]-1-hydroxy-1-methyl-urea CAS Name: 3-[5-fluoro-1-(3-pyridinylmethyl)-1-indol-1-iumyl]-1-hydroxy-1-methylurea IUPAC Name: 3-[5-fluoro-1-(pyridin-3-ylmethyl)indol-1-ium-1-yl]-1-hydroxy-1-methylurea Traditional Name: 3-[5-fluoro-1-(3-pyridylmethyl)indol-1-ium-1-yl]-1-hydroxy-1-methyl-urea Formula: C16H16FN4O2+ MolecularWeight: 315.322243

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)N[N+]1(C=CC2=C1C=CC(=C2)F)CC3=CN=CC=C3)O

Isomeric SMILES

CN(C(=O)N[N+]1(C=CC2=C1C=CC(=C2)F)CC3=CN=CC=C3)O

InChI

InChI=1S/C16H15FN4O2/c1-20(23)16(22)19-21(11-12-3-2-7-18-10-12)8-6-13-9-14(17)4-5-15(13)21/h2-10,23H,11H2,1H3/p+1