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

Systemtic Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]but-2-ynamide Openeye Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]but-2-ynamide CAS Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-2-butynamide IUPAC Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]but-2-ynamide Traditional Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]but-2-ynamide Formula: C20H28FN2O+ MolecularWeight: 331.447523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27FN2O/c1-3-7-20(24)23(4-2)16-18-9-6-12-22(15-18)13-11-17-8-5-10-19(21)14-17/h5,8,10,14,18H,4,6,9,11-13,15-16H2,1-2H3/p+1/t18-/m0/s1