(5S)-5-(phenylmethyl)-5-[1-(thian-4-yl)piperidin-1-ium-4-yl]imidazolidine-2,4-dione

Systemtic Name: (5S)-5-(phenylmethyl)-5-[1-(thian-4-yl)piperidin-1-ium-4-yl]imidazolidine-2,4-dione Openeye Name: (5S)-5-benzyl-5-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)imidazolidine-2,4-dione CAS Name: (5S)-5-(phenylmethyl)-5-[1-(4-thianyl)-4-piperidin-1-iumyl]imidazolidine-2,4-dione IUPAC Name: (5S)-5-benzyl-5-[1-(thian-4-yl)piperidin-1-ium-4-yl]imidazolidine-2,4-dione Traditional Name: (5S)-5-benzyl-5-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)hydantoin Formula: C20H28N3O2S+ MolecularWeight: 374.52022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2(C(=O)NC(=O)N2)CC3=CC=CC=C3)C4CCSCC4

Isomeric SMILES

C1C[NH+](CCC1[C@]2(C(=O)NC(=O)N2)CC3=CC=CC=C3)C4CCSCC4

InChI

InChI=1S/C20H27N3O2S/c24-18-20(22-19(25)21-18,14-15-4-2-1-3-5-15)16-6-10-23(11-7-16)17-8-12-26-13-9-17/h1-5,16-17H,6-14H2,(H2,21,22,24,25)/p+1/t20-/m0/s1