(5S)-5-phenethyl-5-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]imidazolidine-2,4-dione

Systemtic Name: (5S)-5-phenethyl-5-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]imidazolidine-2,4-dione Openeye Name: (5S)-5-phenethyl-5-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]imidazolidine-2,4-dione CAS Name: (5S)-5-phenethyl-5-[1-[(1-phenyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]imidazolidine-2,4-dione IUPAC Name: (5S)-5-phenethyl-5-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]imidazolidine-2,4-dione Traditional Name: (5S)-5-phenethyl-5-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]hydantoin Formula: C26H30N5O2+ MolecularWeight: 444.5487

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2(C(=O)NC(=O)N2)CCC3=CC=CC=C3)CC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1[C@]2(C(=O)NC(=O)N2)CCC3=CC=CC=C3)CC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2/c32-24-26(29-25(33)28-24,14-11-20-7-3-1-4-8-20)22-12-15-30(16-13-22)18-21-17-27-31(19-21)23-9-5-2-6-10-23/h1-10,17,19,22H,11-16,18H2,(H2,28,29,32,33)/p+1/t26-/m0/s1