N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3,5-bis(fluoranyl)benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3,5-bis(fluoranyl)benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3,5-difluoro-benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-3,5-difluorobenzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-3,5-difluorobenzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3,5-difluoro-benzamide Formula: C20H24F2N3O+ MolecularWeight: 360.420866

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)F)F)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)F)F)C

InChI

InChI=1S/C20H23F2N3O/c1-3-24-6-8-25(9-7-24)19-5-4-18(10-14(19)2)23-20(26)15-11-16(21)13-17(22)12-15/h4-5,10-13H,3,6-9H2,1-2H3,(H,23,26)/p+1