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

Systemtic Name: N-(4-dimethylaminophenyl)-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-dimethylaminophenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C21H26FN6O+ MolecularWeight: 397.469143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN6O/c1-26(2)17-6-4-16(5-7-17)23-21(29)14-27-11-9-18(10-12-27)28-20-8-3-15(22)13-19(20)24-25-28/h3-8,13,18H,9-12,14H2,1-2H3,(H,23,29)/p+1