4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C20H24ClFN3O3+ MolecularWeight: 408.874263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C20H23ClFN3O3/c1-27-18-6-4-15(12-19(18)28-2)23-20(26)25-9-7-24(8-10-25)13-14-3-5-17(22)16(21)11-14/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)/p+1