1-[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C23H26FN4O3+ MolecularWeight: 425.475943

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C23H25FN4O3/c24-18-6-1-3-8-20(18)28(13-5-12-25)22(30)16-27-14-10-17(11-15-27)23(31)26-19-7-2-4-9-21(19)29/h1-4,6-9,17,29H,5,10-11,13-16H2,(H,26,31)/p+1