2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)ethanamide

Systemtic Name: 2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)ethanamide Openeye Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide CAS Name: 2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide IUPAC Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide Traditional Name: 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide Formula: C21H23FN7O+ MolecularWeight: 408.452023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C=C(C=C2)NC(=O)C[NH+]3CCC(CC3)N4C5=C(C=C(C=C5)F)N=N4

Isomeric SMILES

CC1=NC2=C(N1)C=C(C=C2)NC(=O)C[NH+]3CCC(CC3)N4C5=C(C=C(C=C5)F)N=N4

InChI

InChI=1S/C21H22FN7O/c1-13-23-17-4-3-15(11-18(17)24-13)25-21(30)12-28-8-6-16(7-9-28)29-20-5-2-14(22)10-19(20)26-27-29/h2-5,10-11,16H,6-9,12H2,1H3,(H,23,24)(H,25,30)/p+1