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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-fluoro-4-methoxy-phenyl)-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-fluoro-4-methoxyphenyl)-[(3S)-1-[(3-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-fluoro-4-methoxyphenyl)-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-fluoro-4-methoxy-phenyl)-[(3S)-1-(3-hydroxybenzyl)piperidin-1-ium-3-yl]methanone Formula: C20H23FNO3+ MolecularWeight: 344.399923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FNO3/c1-25-19-8-7-15(11-18(19)21)20(24)16-5-3-9-22(13-16)12-14-4-2-6-17(23)10-14/h2,4,6-8,10-11,16,23H,3,5,9,12-13H2,1H3/p+1/t16-/m0/s1