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

Systemtic Name: 5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-8-nitroisoquinoline IUPAC Name: 5-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-8-nitro-isoquinoline 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=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

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