3-ethynyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-benzamide

Systemtic Name: 3-ethynyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-benzamide Openeye Name: 3-ethynyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-benzamide CAS Name: 3-ethynyl-N-[[1-[2-(3-fluorophenyl)ethyl]-4-piperidin-1-iumyl]methyl]-N-methylbenzamide IUPAC Name: 3-ethynyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methylbenzamide Traditional Name: 3-ethynyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-benzamide Formula: C24H28FN2O+ MolecularWeight: 379.490323

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC[NH+](CC1)CCC2=CC(=CC=C2)F)C(=O)C3=CC=CC(=C3)C#C

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC(=CC=C2)F)C(=O)C3=CC=CC(=C3)C#C

InChI

InChI=1S/C24H27FN2O/c1-3-19-6-4-8-22(16-19)24(28)26(2)18-21-11-14-27(15-12-21)13-10-20-7-5-9-23(25)17-20/h1,4-9,16-17,21H,10-15,18H2,2H3/p+1