5-butyl-5-(1-methylpyridin-1-ium-4-yl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-butyl-5-(1-methylpyridin-1-ium-4-yl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-butyl-5-(1-methylpyridin-1-ium-4-yl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-butyl-5-(1-methyl-4-pyridin-1-iumyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-butyl-5-(1-methylpyridin-1-ium-4-yl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-butyl-5-(1-methylpyridin-1-ium-4-yl)barbituric acid Formula: C14H18N3O3+ MolecularWeight: 276.31102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NC(=O)NC1=O)C2=CC=[N+](C=C2)C

Isomeric SMILES

CCCCC1(C(=O)NC(=O)NC1=O)C2=CC=[N+](C=C2)C

InChI

InChI=1S/C14H17N3O3/c1-3-4-7-14(10-5-8-17(2)9-6-10)11(18)15-13(20)16-12(14)19/h5-6,8-9H,3-4,7H2,1-2H3,(H-,15,16,18,19,20)/p+1