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

Systemtic Name: 2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C20H22FN6O4+ MolecularWeight: 429.424883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN6O4/c1-31-15-3-4-16(19(11-15)27(29)30)22-20(28)12-25-8-6-14(7-9-25)26-18-5-2-13(21)10-17(18)23-24-26/h2-5,10-11,14H,6-9,12H2,1H3,(H,22,28)/p+1