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

Systemtic Name: (5R)-3-but-2-ynyl-5-phenethyl-5-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]imidazolidine-2,4-dione Openeye Name: (5R)-3-but-2-ynyl-5-phenethyl-5-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]imidazolidine-2,4-dione CAS Name: (5R)-3-but-2-ynyl-5-phenethyl-5-[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]imidazolidine-2,4-dione IUPAC Name: (5R)-3-but-2-ynyl-5-phenethyl-5-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]imidazolidine-2,4-dione Traditional Name: (5R)-3-but-2-ynyl-5-phenethyl-5-[1-(2-thenyl)piperidin-1-ium-4-yl]hydantoin Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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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=CS4

Isomeric SMILES

CC#CCN1C(=O)[C@@](NC1=O)(CCC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C25H29N3O2S/c1-2-3-15-28-23(29)25(26-24(28)30,14-11-20-8-5-4-6-9-20)21-12-16-27(17-13-21)19-22-10-7-18-31-22/h4-10,18,21H,11-17,19H2,1H3,(H,26,30)/p+1/t25-/m1/s1