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

Systemtic Name: 2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-benzyl-2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C21H25FN3O3+ MolecularWeight: 386.439903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3=CC=CC=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CC=CC=C3)F

InChI

InChI=1S/C21H24FN3O3/c1-28-17-8-7-16(18(22)11-17)14-25-10-9-23-21(27)19(25)12-20(26)24-13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,12-14H2,1H3,(H,23,27)(H,24,26)/p+1/t19-/m1/s1