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

Systemtic Name: [4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-quinoxalin-2-yl-methanone Openeye Name: [4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-quinoxalin-2-yl-methanone CAS Name: [4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(2-quinoxalinyl)methanone IUPAC Name: [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-quinoxalin-2-ylmethanone Traditional Name: [4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-quinoxalin-2-yl-methanone Formula: C20H19ClFN4O+ MolecularWeight: 385.842463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C20H18ClFN4O/c21-15-4-3-5-16(22)14(15)13-25-8-10-26(11-9-25)20(27)19-12-23-17-6-1-2-7-18(17)24-19/h1-7,12H,8-11,13H2/p+1