(5S)-5-phenethyl-5-[1-[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]carbonylpiperidin-4-yl]imidazolidine-2,4-dione

Systemtic Name: (5S)-5-phenethyl-5-[1-[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]carbonylpiperidin-4-yl]imidazolidine-2,4-dione Openeye Name: (5S)-5-phenethyl-5-[1-[(3S)-1-pyridin-1-ium-2-ylpiperidine-3-carbonyl]-4-piperidyl]imidazolidine-2,4-dione CAS Name: (5S)-5-[1-[oxo-[(3S)-1-(2-pyridin-1-iumyl)-3-piperidinyl]methyl]-4-piperidinyl]-5-phenethylimidazolidine-2,4-dione IUPAC Name: (5S)-5-phenethyl-5-[1-[(3S)-1-pyridin-1-ium-2-ylpiperidine-3-carbonyl]piperidin-4-yl]imidazolidine-2,4-dione Traditional Name: (5S)-5-phenethyl-5-[1-[(3S)-1-pyridin-1-ium-2-ylnipecotoyl]-4-piperidyl]hydantoin Formula: C27H34N5O3+ MolecularWeight: 476.59056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=CC=[NH+]2)C(=O)N3CCC(CC3)C4(C(=O)NC(=O)N4)CCC5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CC=CC=[NH+]2)C(=O)N3CCC(CC3)[C@]4(C(=O)NC(=O)N4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H33N5O3/c33-24(21-9-6-16-32(19-21)23-10-4-5-15-28-23)31-17-12-22(13-18-31)27(25(34)29-26(35)30-27)14-11-20-7-2-1-3-8-20/h1-5,7-8,10,15,21-22H,6,9,11-14,16-19H2,(H2,29,30,34,35)/p+1/t21-,27-/m0/s1