N-(2-ethyl-6-methyl-phenyl)-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C22H27FN5O+ MolecularWeight: 396.481083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)F)N=N3)C

InChI

InChI=1S/C22H26FN5O/c1-3-16-6-4-5-15(2)22(16)24-21(29)14-27-11-9-18(10-12-27)28-20-8-7-17(23)13-19(20)25-26-28/h4-8,13,18H,3,9-12,14H2,1-2H3,(H,24,29)/p+1