3-fluoranyl-4-methoxy-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide

Systemtic Name: 3-fluoranyl-4-methoxy-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Openeye Name: 3-fluoro-4-methoxy-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide CAS Name: 3-fluoro-4-methoxy-N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]benzamide IUPAC Name: 3-fluoro-4-methoxy-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Traditional Name: 3-fluoro-4-methoxy-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Formula: C22H28FN2O2+ MolecularWeight: 371.468323

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H27FN2O2/c1-24(22(26)18-10-11-21(27-2)20(23)15-18)19-9-6-13-25(16-19)14-12-17-7-4-3-5-8-17/h3-5,7-8,10-11,15,19H,6,9,12-14,16H2,1-2H3/p+1/t19-/m0/s1