N-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-(3-chloro-2-fluoro-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-(3-chloro-2-fluorophenyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-(3-chloro-2-fluorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(3-chloro-2-fluoro-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C18H19ClFN4O3+ MolecularWeight: 393.819863

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C(=CC=C3)Cl)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C(=CC=C3)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClFN4O3/c1-22-7-9-23(10-8-22)15-6-5-12(11-16(15)24(26)27)18(25)21-14-4-2-3-13(19)17(14)20/h2-6,11H,7-10H2,1H3,(H,21,25)/p+1