N'-[2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanoyl]-4-methoxy-benzohydrazide

Systemtic Name: N'-[2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanoyl]-4-methoxy-benzohydrazide Openeye Name: N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]-4-methoxy-benzohydrazide CAS Name: N'-[2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]-1-oxoethyl]-4-methoxybenzohydrazide IUPAC Name: N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]-4-methoxybenzohydrazide Traditional Name: N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]-4-methoxy-benzohydrazide Formula: C21H24FN6O3+ MolecularWeight: 427.452063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NNC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NNC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3

InChI

InChI=1S/C21H23FN6O3/c1-31-17-5-2-14(3-6-17)21(30)25-24-20(29)13-27-10-8-16(9-11-27)28-19-7-4-15(22)12-18(19)23-26-28/h2-7,12,16H,8-11,13H2,1H3,(H,24,29)(H,25,30)/p+1