N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-methyl-butanamide

Systemtic Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-methyl-butanamide Openeye Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-methyl-butanamide CAS Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-3-methylbutanamide IUPAC Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-methylbutanamide Traditional Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-methyl-butyramide Formula: C21H34FN2O+ MolecularWeight: 349.505863

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCC[NH+](C1)CCC2=CC(=CC=C2)F)C(=O)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H33FN2O/c1-4-24(21(25)13-17(2)3)16-19-8-6-11-23(15-19)12-10-18-7-5-9-20(22)14-18/h5,7,9,14,17,19H,4,6,8,10-13,15-16H2,1-3H3/p+1/t19-/m0/s1