4-fluoranyl-N-[(2S)-3-methyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[(2S)-3-methyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-fluoro-N-[(1S)-2-methyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]carbamoyl]propyl]benzamide CAS Name: 4-fluoro-N-[(2S)-3-methyl-1-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]amino]-1-oxobutan-2-yl]benzamide IUPAC Name: 4-fluoro-N-[(2S)-3-methyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-1-oxobutan-2-yl]benzamide Traditional Name: 4-fluoro-N-[(1S)-2-methyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]carbamoyl]propyl]benzamide Formula: C22H29FN5O2+ MolecularWeight: 414.496363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CN=C(C=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CN=C(C=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN5O2/c1-15(2)20(26-21(29)16-4-6-17(23)7-5-16)22(30)25-18-8-9-19(24-14-18)28-12-10-27(3)11-13-28/h4-9,14-15,20H,10-13H2,1-3H3,(H,25,30)(H,26,29)/p+1/t20-/m0/s1