[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-(3-phenylimidazol-4-yl)methanone

Systemtic Name: [4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-(3-phenylimidazol-4-yl)methanone Openeye Name: [4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-(3-phenylimidazol-4-yl)methanone CAS Name: [4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(3-phenyl-4-imidazolyl)methanone IUPAC Name: [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(3-phenylimidazol-4-yl)methanone Traditional Name: [4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-(3-phenylimidazol-4-yl)methanone Formula: C21H21ClFN4O+ MolecularWeight: 399.869043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=CN=CN3C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=CN=CN3C4=CC=CC=C4

InChI

InChI=1S/C21H20ClFN4O/c22-18-7-4-8-19(23)17(18)14-25-9-11-26(12-10-25)21(28)20-13-24-15-27(20)16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2/p+1