2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C20H22FN6O3+ MolecularWeight: 413.425483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3

InChI

InChI=1S/C20H21FN6O3/c1-13-10-16(27(29)30)3-4-17(13)22-20(28)12-25-8-6-15(7-9-25)26-19-5-2-14(21)11-18(19)23-24-26/h2-5,10-11,15H,6-9,12H2,1H3,(H,22,28)/p+1