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

Systemtic Name: (5R)-3-but-2-ynyl-5-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione Openeye Name: (5R)-3-but-2-ynyl-5-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione CAS Name: (5R)-3-but-2-ynyl-5-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-5-phenethylimidazolidine-2,4-dione IUPAC Name: (5R)-3-but-2-ynyl-5-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-5-phenethylimidazolidine-2,4-dione Traditional Name: (5R)-3-but-2-ynyl-5-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]-5-phenethyl-hydantoin Formula: C28H34N3O2+ MolecularWeight: 444.58846

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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=CC=C4C

Isomeric SMILES

CC#CCN1C(=O)[C@@](NC1=O)(CCC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C28H33N3O2/c1-3-4-18-31-26(32)28(29-27(31)33,17-14-23-11-6-5-7-12-23)25-15-19-30(20-16-25)21-24-13-9-8-10-22(24)2/h5-13,25H,14-21H2,1-2H3,(H,29,33)/p+1/t28-/m1/s1