1,3-dimethyl-5,5-bis(2-pyridin-1-ium-2-ylethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5,5-bis(2-pyridin-1-ium-2-ylethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5,5-bis(2-pyridin-1-ium-2-ylethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5,5-bis[2-(2-pyridin-1-iumyl)ethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5,5-bis(2-pyridin-1-ium-2-ylethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5,5-bis(2-pyridin-1-ium-2-ylethyl)barbituric acid Formula: C20H24N4O3+2 MolecularWeight: 368.42956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C1=O)C)(CCC2=CC=CC=[NH+]2)CCC3=CC=CC=[NH+]3

Isomeric SMILES

CN1C(=O)C(C(=O)N(C1=O)C)(CCC2=CC=CC=[NH+]2)CCC3=CC=CC=[NH+]3

InChI

InChI=1S/C20H22N4O3/c1-23-17(25)20(18(26)24(2)19(23)27,11-9-15-7-3-5-13-21-15)12-10-16-8-4-6-14-22-16/h3-8,13-14H,9-12H2,1-2H3/p+2