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

Systemtic Name: (5S)-3-but-2-ynyl-5-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione Openeye Name: (5S)-3-but-2-ynyl-5-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione CAS Name: (5S)-3-but-2-ynyl-5-[1-[(4-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-5-phenethylimidazolidine-2,4-dione IUPAC Name: (5S)-3-but-2-ynyl-5-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-5-phenethylimidazolidine-2,4-dione Traditional Name: (5S)-3-but-2-ynyl-5-[1-(4-ethoxybenzyl)piperidin-1-ium-4-yl]-5-phenethyl-hydantoin Formula: C29H36N3O3+ MolecularWeight: 474.61444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)C3(C(=O)N(C(=O)N3)CC#CC)CCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)[C@]3(C(=O)N(C(=O)N3)CC#CC)CCC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O3/c1-3-5-19-32-27(33)29(30-28(32)34,18-15-23-9-7-6-8-10-23)25-16-20-31(21-17-25)22-24-11-13-26(14-12-24)35-4-2/h6-14,25H,4,15-22H2,1-2H3,(H,30,34)/p+1/t29-/m0/s1