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

Systemtic Name: 1,3-dimethyl-5,5-bis(2-pyridin-1-ium-4-ylethyl)-1,3-diazinane-2,4,6-trione dichloride Openeye Name: 1,3-dimethyl-5,5-bis(2-pyridin-1-ium-4-ylethyl)hexahydropyrimidine-2,4,6-trione dichloride CAS Name: 1,3-dimethyl-5,5-bis[2-(4-pyridin-1-iumyl)ethyl]-1,3-diazinane-2,4,6-trione dichloride IUPAC Name: 1,3-dimethyl-5,5-bis(2-pyridin-1-ium-4-ylethyl)-1,3-diazinane-2,4,6-trione dichloride Traditional Name: 1,3-dimethyl-5,5-bis(2-pyridin-1-ium-4-ylethyl)barbituric acid dichloride Formula: C20H24Cl2N4O3 MolecularWeight: 439.33556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C1=O)C)(CCC2=CC=[NH+]C=C2)CCC3=CC=[NH+]C=C3.[Cl-].[Cl-]

Isomeric SMILES

CN1C(=O)C(C(=O)N(C1=O)C)(CCC2=CC=[NH+]C=C2)CCC3=CC=[NH+]C=C3.[Cl-].[Cl-]

InChI

InChI=1S/C20H22N4O3.2ClH/c1-23-17(25)20(18(26)24(2)19(23)27,9-3-15-5-11-21-12-6-15)10-4-16-7-13-22-14-8-16;;/h5-8,11-14H,3-4,9-10H2,1-2H3;2*1H