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

Systemtic Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-4-(trifluoromethyl)benzamide CAS Name: N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-4-(trifluoromethyl)benzamide Formula: C22H26F3N2O+ MolecularWeight: 391.44985

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H25F3N2O/c1-26(21(28)18-9-11-19(12-10-18)22(23,24)25)20-8-5-14-27(16-20)15-13-17-6-3-2-4-7-17/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3/p+1/t20-/m0/s1