N-[[(3R)-1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[(3R)-1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-fluoranyl-benzamide Openeye Name: N-[[(3R)-1-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-fluoro-benzamide CAS Name: N-[[(3R)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-4-fluorobenzamide IUPAC Name: N-[[(3R)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-fluorobenzamide Traditional Name: N-[[(3R)-1-(3-chloro-4-hydroxy-5-methoxy-benzyl)piperidin-1-ium-3-yl]methyl]-4-fluoro-benzamide Formula: C21H25ClFN2O3+ MolecularWeight: 407.886203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClFN2O3/c1-28-19-10-15(9-18(22)20(19)26)13-25-8-2-3-14(12-25)11-24-21(27)16-4-6-17(23)7-5-16/h4-7,9-10,14,26H,2-3,8,11-13H2,1H3,(H,24,27)/p+1/t14-/m1/s1