4-[3,5-bis(fluoranyl)phenyl]-N-ethyl-1-(2-methoxy-4,5-dimethyl-phenyl)piperazin-1-ium-1-carboxamide

Systemtic Name: 4-[3,5-bis(fluoranyl)phenyl]-N-ethyl-1-(2-methoxy-4,5-dimethyl-phenyl)piperazin-1-ium-1-carboxamide Openeye Name: 4-(3,5-difluorophenyl)-N-ethyl-1-(2-methoxy-4,5-dimethyl-phenyl)piperazin-1-ium-1-carboxamide CAS Name: 4-(3,5-difluorophenyl)-N-ethyl-1-(2-methoxy-4,5-dimethylphenyl)-1-piperazin-1-iumcarboxamide IUPAC Name: 4-(3,5-difluorophenyl)-N-ethyl-1-(2-methoxy-4,5-dimethylphenyl)piperazin-1-ium-1-carboxamide Traditional Name: 4-(3,5-difluorophenyl)-N-ethyl-1-(2-methoxy-4,5-dimethyl-phenyl)piperazin-1-ium-1-carboxamide Formula: C22H28F2N3O2+ MolecularWeight: 404.473426

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)[N+]1(CCN(CC1)C2=CC(=CC(=C2)F)F)C3=C(C=C(C(=C3)C)C)OC

Isomeric SMILES

CCNC(=O)[N+]1(CCN(CC1)C2=CC(=CC(=C2)F)F)C3=C(C=C(C(=C3)C)C)OC

InChI

InChI=1S/C22H27F2N3O2/c1-5-25-22(28)27(20-10-15(2)16(3)11-21(20)29-4)8-6-26(7-9-27)19-13-17(23)12-18(24)14-19/h10-14H,5-9H2,1-4H3/p+1