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

Systemtic Name: 5-(phenylmethyl)-5-(piperidin-1-ium-1-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-benzyl-5-(piperidin-1-ium-1-ylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-(phenylmethyl)-5-(1-piperidin-1-iumylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-benzyl-5-(piperidin-1-ium-1-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-benzyl-5-(piperidin-1-ium-1-ylmethyl)barbituric acid Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2(C(=O)NC(=O)NC2=O)CC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2(C(=O)NC(=O)NC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O3/c21-14-17(15(22)19-16(23)18-14,11-13-7-3-1-4-8-13)12-20-9-5-2-6-10-20/h1,3-4,7-8H,2,5-6,9-12H2,(H2,18,19,21,22,23)/p+1