N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Formula: C23H29FN3O2+ MolecularWeight: 398.493663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3)F

InChI

InChI=1S/C23H28FN3O2/c1-17-9-10-19(14-20(17)24)16-26-22(28)15-21-23(29)25-11-13-27(21)12-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,14,21H,5,8,11-13,15-16H2,1H3,(H,25,29)(H,26,28)/p+1/t21-/m1/s1