N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(4-fluorophenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(4-fluorophenyl)-4-oxidanylidene-butanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(4-fluorophenyl)-4-oxo-butanamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(4-fluorophenyl)-4-keto-butyramide Formula: C23H29FN3O2+ MolecularWeight: 398.493663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O2/c1-3-26-12-14-27(15-13-26)20-8-9-21(17(2)16-20)25-23(29)11-10-22(28)18-4-6-19(24)7-5-18/h4-9,16H,3,10-15H2,1-2H3,(H,25,29)/p+1