N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-carboxamide Formula: C19H21Cl2FN3O2+ MolecularWeight: 413.293343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H20Cl2FN3O2/c1-27-18-5-2-14(20)10-13(18)12-24-6-8-25(9-7-24)19(26)23-15-3-4-17(22)16(21)11-15/h2-5,10-11H,6-9,12H2,1H3,(H,23,26)/p+1