[(3S)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(4-fluoro-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(4-fluoro-3-methoxy-benzyl)piperidin-1-ium-3-yl]-[4-(methylthio)phenyl]methanone Formula: C21H25FNO2S+ MolecularWeight: 374.492103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)SC)F

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO2S/c1-25-20-12-15(5-10-19(20)22)13-23-11-3-4-17(14-23)21(24)16-6-8-18(26-2)9-7-16/h5-10,12,17H,3-4,11,13-14H2,1-2H3/p+1/t17-/m0/s1