4,4,4-tris(fluoranyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-butanamide

Systemtic Name: 4,4,4-tris(fluoranyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-butanamide Openeye Name: 4,4,4-trifluoro-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-butanamide CAS Name: 4,4,4-trifluoro-N-[(1-methyl-4-piperidin-1-iumyl)methyl]-N-phenethylbutanamide IUPAC Name: 4,4,4-trifluoro-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethylbutanamide Traditional Name: 4,4,4-trifluoro-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-butyramide Formula: C19H28F3N2O+ MolecularWeight: 357.43363

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)C(=O)CCC(F)(F)F

Isomeric SMILES

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)C(=O)CCC(F)(F)F

InChI

InChI=1S/C19H27F3N2O/c1-23-12-8-17(9-13-23)15-24(18(25)7-11-19(20,21)22)14-10-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3/p+1