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

Systemtic Name: (5R)-3-but-2-ynyl-5-[1-(3-methylbutyl)piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione Openeye Name: (5R)-3-but-2-ynyl-5-(1-isopentylpiperidin-1-ium-4-yl)-5-phenethyl-imidazolidine-2,4-dione CAS Name: (5R)-3-but-2-ynyl-5-[1-(3-methylbutyl)-4-piperidin-1-iumyl]-5-phenethylimidazolidine-2,4-dione IUPAC Name: (5R)-3-but-2-ynyl-5-[1-(3-methylbutyl)piperidin-1-ium-4-yl]-5-phenethylimidazolidine-2,4-dione Traditional Name: (5R)-3-but-2-ynyl-5-(1-isoamylpiperidin-1-ium-4-yl)-5-phenethyl-hydantoin Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O2/c1-4-5-16-28-23(29)25(26-24(28)30,15-11-21-9-7-6-8-10-21)22-13-18-27(19-14-22)17-12-20(2)3/h6-10,20,22H,11-19H2,1-3H3,(H,26,30)/p+1/t25-/m1/s1