1,3-dimethyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)propylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)propylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)propylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[1-[2-(1-piperidin-1-iumyl)ethylamino]propylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)propylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-[1-(2-piperidin-1-ium-1-ylethylamino)propylidene]barbituric acid Formula: C16H27N4O3+ MolecularWeight: 323.41058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)N(C(=O)N(C1=O)C)C)NCC[NH+]2CCCCC2

Isomeric SMILES

CCC(=C1C(=O)N(C(=O)N(C1=O)C)C)NCC[NH+]2CCCCC2

InChI

InChI=1S/C16H26N4O3/c1-4-12(17-8-11-20-9-6-5-7-10-20)13-14(21)18(2)16(23)19(3)15(13)22/h17H,4-11H2,1-3H3/p+1