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

Systemtic Name: 1-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C15H21FN3O2+ MolecularWeight: 294.344543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N)F

InChI

InChI=1S/C15H20FN3O2/c1-10-2-3-12(8-13(10)16)18-14(20)9-19-6-4-11(5-7-19)15(17)21/h2-3,8,11H,4-7,9H2,1H3,(H2,17,21)(H,18,20)/p+1