8-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-quinoline

Systemtic Name: 8-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-quinoline Openeye Name: 8-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-5-nitro-quinoline CAS Name: 8-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-5-nitroquinoline IUPAC Name: 8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-5-nitroquinoline Traditional Name: 8-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-5-nitro-quinoline Formula: C20H19ClFN4O2+ MolecularWeight: 401.841863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C20H18ClFN4O2/c21-16-4-1-5-17(22)15(16)13-24-9-11-25(12-10-24)19-7-6-18(26(27)28)14-3-2-8-23-20(14)19/h1-8H,9-13H2/p+1