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

Systemtic Name: [(3S)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-fluoranyl-4-methoxy-phenyl)methanone Openeye Name: [(3S)-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]-(3-fluoro-4-methoxy-phenyl)methanone CAS Name: [(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-fluoro-4-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-fluoro-4-methoxyphenyl)methanone Traditional Name: [(3S)-1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-3-yl]-(3-fluoro-4-methoxy-phenyl)methanone Formula: C22H27FNO4+ MolecularWeight: 388.452483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCC(C2)C(=O)C3=CC(=C(C=C3)OC)F)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=C(C=C3)OC)F)O

InChI

InChI=1S/C22H26FNO4/c1-3-28-21-11-15(6-8-19(21)25)13-24-10-4-5-17(14-24)22(26)16-7-9-20(27-2)18(23)12-16/h6-9,11-12,17,25H,3-5,10,13-14H2,1-2H3/p+1/t17-/m0/s1