5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-cyclopropyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C18H19ClFN4O+ MolecularWeight: 361.821063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(O2)N3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F)C#N

Isomeric SMILES

C1CC1C2=NC(=C(O2)N3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F)C#N

InChI

InChI=1S/C18H18ClFN4O/c19-14-2-1-3-15(20)13(14)11-23-6-8-24(9-7-23)18-16(10-21)22-17(25-18)12-4-5-12/h1-3,12H,4-9,11H2/p+1