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

Systemtic Name: (5R)-5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-4-yl]-3-but-2-ynyl-5-phenethyl-imidazolidine-2,4-dione Openeye Name: (5R)-5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-4-yl]-3-but-2-ynyl-5-phenethyl-imidazolidine-2,4-dione CAS Name: (5R)-5-[1-(1H-benzimidazol-2-ylmethyl)-4-piperidin-1-iumyl]-3-but-2-ynyl-5-phenethylimidazolidine-2,4-dione IUPAC Name: (5R)-5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-4-yl]-3-but-2-ynyl-5-phenethylimidazolidine-2,4-dione Traditional Name: (5R)-5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-4-yl]-3-but-2-ynyl-5-phenethyl-hydantoin Formula: C28H32N5O2+ MolecularWeight: 470.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=O)C(NC1=O)(CCC2=CC=CC=C2)C3CC[NH+](CC3)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC#CCN1C(=O)[C@@](NC1=O)(CCC2=CC=CC=C2)C3CC[NH+](CC3)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C28H31N5O2/c1-2-3-17-33-26(34)28(31-27(33)35,16-13-21-9-5-4-6-10-21)22-14-18-32(19-15-22)20-25-29-23-11-7-8-12-24(23)30-25/h4-12,22H,13-20H2,1H3,(H,29,30)(H,31,35)/p+1/t28-/m1/s1