4-(4-fluorophenyl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(4-fluorophenyl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4-oxidanylidene-butanamide Openeye Name: 4-(4-fluorophenyl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4-oxo-butanamide CAS Name: 4-(4-fluorophenyl)-N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]methyl]-4-oxobutanamide IUPAC Name: 4-(4-fluorophenyl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-4-oxobutanamide Traditional Name: 4-(4-fluorophenyl)-4-keto-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]butyramide Formula: C21H27FN4O2+2 MolecularWeight: 386.463083

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O2/c1-25-11-13-26(14-12-25)21-17(3-2-10-23-21)15-24-20(28)9-8-19(27)16-4-6-18(22)7-5-16/h2-7,10H,8-9,11-15H2,1H3,(H,24,28)/p+2