3,4-bis(fluoranyl)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-benzamide

Systemtic Name: 3,4-bis(fluoranyl)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-benzamide Openeye Name: 3,4-difluoro-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-benzamide CAS Name: 3,4-difluoro-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-N-phenethylbenzamide IUPAC Name: 3,4-difluoro-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethylbenzamide Traditional Name: 3,4-difluoro-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-benzamide Formula: C22H27F2N2O+ MolecularWeight: 373.459386

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CN(CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H26F2N2O/c1-25-12-5-8-18(15-25)16-26(13-11-17-6-3-2-4-7-17)22(27)19-9-10-20(23)21(24)14-19/h2-4,6-7,9-10,14,18H,5,8,11-13,15-16H2,1H3/p+1/t18-/m0/s1