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

Systemtic Name: 1-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-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]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C23H29FN3O2+ MolecularWeight: 398.493663

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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)NCC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)F

InChI

InChI=1S/C23H28FN3O2/c1-16-8-9-20(14-21(16)24)26-22(28)17(2)27-12-10-19(11-13-27)23(29)25-15-18-6-4-3-5-7-18/h3-9,14,17,19H,10-13,15H2,1-2H3,(H,25,29)(H,26,28)/p+1/t17-/m0/s1