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

Systemtic Name: 2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-p-anisyl-acetamide Formula: C21H25FN5O2+ MolecularWeight: 398.453903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN5O2/c1-29-18-5-2-15(3-6-18)13-23-21(28)14-26-10-8-17(9-11-26)27-20-7-4-16(22)12-19(20)24-25-27/h2-7,12,17H,8-11,13-14H2,1H3,(H,23,28)/p+1