4-[(2S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzohydrazide

Systemtic Name: 4-[(2S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzohydrazide Openeye Name: 4-[(2S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]benzohydrazide CAS Name: 4-[(2S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-hydroxypropoxy]benzohydrazide IUPAC Name: 4-[(2S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-hydroxypropoxy]benzohydrazide Traditional Name: 4-[(2S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]benzohydrazide Formula: C20H26FN4O3+ MolecularWeight: 389.443843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)C(=O)NN)O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=C(C=C2)C(=O)NN)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN4O3/c21-16-3-5-17(6-4-16)25-11-9-24(10-12-25)13-18(26)14-28-19-7-1-15(2-8-19)20(27)23-22/h1-8,18,26H,9-14,22H2,(H,23,27)/p+1/t18-/m0/s1