[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-[4-(methylthio)phenyl]methanone Formula: C20H24FN2O2S+ MolecularWeight: 375.480163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H23FN2O2S/c1-25-19-8-5-17(21)13-16(19)14-22-9-11-23(12-10-22)20(24)15-3-6-18(26-2)7-4-15/h3-8,13H,9-12,14H2,1-2H3/p+1