1,3-dimethyl-5-(phenylmethyl)-5-(piperidin-1-ium-1-ylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-(phenylmethyl)-5-(piperidin-1-ium-1-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-benzyl-1,3-dimethyl-5-(piperidin-1-ium-1-ylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-(phenylmethyl)-5-(1-piperidin-1-iumylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-benzyl-1,3-dimethyl-5-(piperidin-1-ium-1-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-benzyl-1,3-dimethyl-5-(piperidin-1-ium-1-ylmethyl)barbituric acid Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C1=O)C)(CC2=CC=CC=C2)C[NH+]3CCCCC3

Isomeric SMILES

CN1C(=O)C(C(=O)N(C1=O)C)(CC2=CC=CC=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C19H25N3O3/c1-20-16(23)19(17(24)21(2)18(20)25,13-15-9-5-3-6-10-15)14-22-11-7-4-8-12-22/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3/p+1