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

Systemtic Name: (5R)-3-but-2-ynyl-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione Openeye Name: (5R)-3-but-2-ynyl-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione CAS Name: (5R)-3-but-2-ynyl-5-[1-[(1,5-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-5-phenethylimidazolidine-2,4-dione IUPAC Name: (5R)-3-but-2-ynyl-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-5-phenethylimidazolidine-2,4-dione Traditional Name: (5R)-3-but-2-ynyl-5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-5-phenethyl-hydantoin Formula: C26H34N5O2+ MolecularWeight: 448.58046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O2/c1-4-5-15-31-24(32)26(28-25(31)33,14-11-21-9-7-6-8-10-21)23-12-16-30(17-13-23)19-22-18-27-29(3)20(22)2/h6-10,18,23H,11-17,19H2,1-3H3,(H,28,33)/p+1/t26-/m1/s1