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

Systemtic Name: 1-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C16H23FN3O2+ MolecularWeight: 308.371123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22FN3O2/c1-10-3-4-13(9-14(10)17)19-16(22)11(2)20-7-5-12(6-8-20)15(18)21/h3-4,9,11-12H,5-8H2,1-2H3,(H2,18,21)(H,19,22)/p+1/t11-/m0/s1