N-(3,4-dimethoxyphenyl)-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[4-(5-fluoranylbenzotriazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C21H25FN5O3+ MolecularWeight: 414.453303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN5O3/c1-29-19-6-4-15(12-20(19)30-2)23-21(28)13-26-9-7-16(8-10-26)27-18-5-3-14(22)11-17(18)24-25-27/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,23,28)/p+1