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

Systemtic Name: (5R)-3-but-2-ynyl-5-[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione Openeye Name: (5R)-3-but-2-ynyl-5-[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione CAS Name: (5R)-3-but-2-ynyl-5-[1-[(3-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-5-phenethylimidazolidine-2,4-dione IUPAC Name: (5R)-3-but-2-ynyl-5-[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-5-phenethylimidazolidine-2,4-dione Traditional Name: (5R)-3-but-2-ynyl-5-[1-(3-hydroxybenzyl)piperidin-1-ium-4-yl]-5-phenethyl-hydantoin Formula: C27H32N3O3+ MolecularWeight: 446.56128

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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(=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3/c1-2-3-16-30-25(32)27(28-26(30)33,15-12-21-8-5-4-6-9-21)23-13-17-29(18-14-23)20-22-10-7-11-24(31)19-22/h4-11,19,23,31H,12-18,20H2,1H3,(H,28,33)/p+1/t27-/m1/s1