N-(4-ethanoylphenyl)-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(4-acetylphenyl)-2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C21H23FN5O2+ MolecularWeight: 396.438023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN5O2/c1-14(28)15-2-5-17(6-3-15)23-21(29)13-26-10-8-18(9-11-26)27-20-7-4-16(22)12-19(20)24-25-27/h2-7,12,18H,8-11,13H2,1H3,(H,23,29)/p+1