(5-fluoranyl-2-methoxy-phenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (5-fluoro-2-methoxy-phenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (5-fluoro-2-methoxyphenyl)-[(3S)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (5-fluoro-2-methoxyphenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (5-fluoro-2-methoxy-phenyl)-[(3S)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]methanone Formula: C19H23FN3O2S+ MolecularWeight: 376.468223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)C2CCC[NH+](C2)CC3=CN=C(N=C3)SC

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)[C@H]2CCC[NH+](C2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C19H22FN3O2S/c1-25-17-6-5-15(20)8-16(17)18(24)14-4-3-7-23(12-14)11-13-9-21-19(26-2)22-10-13/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3/p+1/t14-/m0/s1