(2S)-1-(3-fluoranyl-4-methoxy-phenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-(3-fluoranyl-4-methoxy-phenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(3-fluoro-4-methoxy-phenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: (2S)-1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: (2S)-1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: (2S)-1-(3-fluoro-4-methoxy-phenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-one Formula: C21H25FNO2+ MolecularWeight: 342.427103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C(C[NH+]2CCCCC2)C3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H](C[NH+]2CCCCC2)C3=CC=CC=C3)F

InChI

InChI=1S/C21H24FNO2/c1-25-20-11-10-17(14-19(20)22)21(24)18(16-8-4-2-5-9-16)15-23-12-6-3-7-13-23/h2,4-5,8-11,14,18H,3,6-7,12-13,15H2,1H3/p+1/t18-/m1/s1