5-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-[(4-bromo-2-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-[(4-bromo-2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-cyclopropyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-(4-bromo-2-fluoro-benzyl)piperazin-4-ium-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C18H19BrFN4O+ MolecularWeight: 406.272063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(O2)N3CC[NH+](CC3)CC4=C(C=C(C=C4)Br)F)C#N

Isomeric SMILES

C1CC1C2=NC(=C(O2)N3CC[NH+](CC3)CC4=C(C=C(C=C4)Br)F)C#N

InChI

InChI=1S/C18H18BrFN4O/c19-14-4-3-13(15(20)9-14)11-23-5-7-24(8-6-23)18-16(10-21)22-17(25-18)12-1-2-12/h3-4,9,12H,1-2,5-8,11H2/p+1