(5S)-3-but-2-ynyl-5-[1-[(4-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione

Systemtic Name: (5S)-3-but-2-ynyl-5-[1-[(4-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione Openeye Name: (5S)-3-but-2-ynyl-5-[1-[(2-hydroxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione CAS Name: (5S)-3-but-2-ynyl-5-[1-[(2-hydroxy-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-5-phenethylimidazolidine-2,4-dione IUPAC Name: (5S)-3-but-2-ynyl-5-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-5-phenethylimidazolidine-2,4-dione Traditional Name: (5S)-3-but-2-ynyl-5-[1-(2-hydroxy-4-methoxy-benzyl)piperidin-1-ium-4-yl]-5-phenethyl-hydantoin Formula: C28H34N3O4+ MolecularWeight: 476.58726

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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(C=C(C=C4)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O4/c1-3-4-16-31-26(33)28(29-27(31)34,15-12-21-8-6-5-7-9-21)23-13-17-30(18-14-23)20-22-10-11-24(35-2)19-25(22)32/h5-11,19,23,32H,12-18,20H2,1-2H3,(H,29,34)/p+1/t28-/m0/s1