(5S)-5-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione

Systemtic Name: (5S)-5-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione Openeye Name: (5S)-5-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-5-phenethyl-imidazolidine-2,4-dione CAS Name: (5S)-5-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]-5-phenethylimidazolidine-2,4-dione IUPAC Name: (5S)-5-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-5-phenethylimidazolidine-2,4-dione Traditional Name: (5S)-5-phenethyl-5-(1-piperonylpiperidin-1-ium-4-yl)hydantoin Formula: C24H28N3O4+ MolecularWeight: 422.49682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2(C(=O)NC(=O)N2)CCC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1[C@]2(C(=O)NC(=O)N2)CCC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N3O4/c28-22-24(26-23(29)25-22,11-8-17-4-2-1-3-5-17)19-9-12-27(13-10-19)15-18-6-7-20-21(14-18)31-16-30-20/h1-7,14,19H,8-13,15-16H2,(H2,25,26,28,29)/p+1/t24-/m0/s1