(5-chloranyl-2-nitro-phenyl)-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-chloranyl-2-nitro-phenyl)-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-chloro-2-nitro-phenyl)-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-2-nitrophenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-2-nitrophenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-chloro-2-nitro-phenyl)-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C19H20ClFN3O4+ MolecularWeight: 408.831203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])F

InChI

InChI=1S/C19H19ClFN3O4/c1-28-18-5-2-13(10-16(18)21)12-22-6-8-23(9-7-22)19(25)15-11-14(20)3-4-17(15)24(26)27/h2-5,10-11H,6-9,12H2,1H3/p+1