4-fluoranyl-N'-[(2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanoyl]benzohydrazide

Systemtic Name: 4-fluoranyl-N'-[(2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanoyl]benzohydrazide Openeye Name: 4-fluoro-N'-[(2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanoyl]benzohydrazide CAS Name: 4-fluoro-N'-[(2S)-1-oxo-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]propyl]benzohydrazide IUPAC Name: 4-fluoro-N'-[(2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanoyl]benzohydrazide Traditional Name: 4-fluoro-N'-[(2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanoyl]benzohydrazide Formula: C22H28FN4O3+ MolecularWeight: 415.481123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC=C(C=C1)F)[NH+]2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NNC(=O)C1=CC=C(C=C1)F)[NH+]2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H27FN4O3/c1-17(21(28)24-25-22(29)18-7-9-19(23)10-8-18)27-13-11-26(12-14-27)15-16-30-20-5-3-2-4-6-20/h2-10,17H,11-16H2,1H3,(H,24,28)(H,25,29)/p+1/t17-/m0/s1