1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]urea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]urea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]urea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]urea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]urea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(1,3,5-trimethyl-4H-pyrazol-1-ium-4-yl)methyl]urea Formula: C14H17ClFN4O+ MolecularWeight: 311.762383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(C1CNC(=O)NC2=CC(=C(C=C2)F)Cl)C)C

Isomeric SMILES

CC1=N[N+](=C(C1CNC(=O)NC2=CC(=C(C=C2)F)Cl)C)C

InChI

InChI=1S/C14H16ClFN4O/c1-8-11(9(2)20(3)19-8)7-17-14(21)18-10-4-5-13(16)12(15)6-10/h4-6,11H,7H2,1-3H3,(H-,17,18,21)/p+1