1-[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(3-fluoro-4-methyl-phenyl)methylamino]-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(3-fluoro-4-methyl-benzyl)amino]-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C22H27FN3O3+ MolecularWeight: 400.466483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)F

InChI

InChI=1S/C22H26FN3O3/c1-15-6-7-16(12-18(15)23)13-24-21(28)14-26-10-8-17(9-11-26)22(29)25-19-4-2-3-5-20(19)27/h2-7,12,17,27H,8-11,13-14H2,1H3,(H,24,28)(H,25,29)/p+1