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

Systemtic Name: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-1,3-benzoxazole Formula: C18H18ClFN3O+ MolecularWeight: 346.806423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H17ClFN3O/c19-14-4-3-5-15(20)13(14)12-22-8-10-23(11-9-22)18-21-16-6-1-2-7-17(16)24-18/h1-7H,8-12H2/p+1