(5R)-3-but-2-ynyl-5-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione

Systemtic Name: (5R)-3-but-2-ynyl-5-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione Openeye Name: (5R)-3-but-2-ynyl-5-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione CAS Name: (5R)-3-but-2-ynyl-5-[1-[(4-fluorophenyl)methyl]-4-piperidin-1-iumyl]-5-phenethylimidazolidine-2,4-dione IUPAC Name: (5R)-3-but-2-ynyl-5-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]-5-phenethylimidazolidine-2,4-dione Traditional Name: (5R)-3-but-2-ynyl-5-[1-(4-fluorobenzyl)piperidin-1-ium-4-yl]-5-phenethyl-hydantoin Formula: C27H31FN3O2+ MolecularWeight: 448.552343

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=O)C(NC1=O)(CCC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC#CCN1C(=O)[C@@](NC1=O)(CCC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H30FN3O2/c1-2-3-17-31-25(32)27(29-26(31)33,16-13-21-7-5-4-6-8-21)23-14-18-30(19-15-23)20-22-9-11-24(28)12-10-22/h4-12,23H,13-20H2,1H3,(H,29,33)/p+1/t27-/m1/s1