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

Systemtic Name: 2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)acetamide CAS Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[3-(methylthio)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)acetamide Traditional Name: 2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-[3-(methylthio)propyl]acetamide Formula: C18H27FN3O3S+ MolecularWeight: 384.488683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26FN3O3S/c1-25-14-5-4-13(15(19)10-14)12-22-8-7-21-18(24)16(22)11-17(23)20-6-3-9-26-2/h4-5,10,16H,3,6-9,11-12H2,1-2H3,(H,20,23)(H,21,24)/p+1/t16-/m1/s1