5-[C-ethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonimidoyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[C-ethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonimidoyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[N-(1-benzylpiperidin-1-ium-4-yl)-C-ethyl-carbonimidoyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-[[1-(phenylmethyl)-4-piperidin-1-iumyl]imino]propyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[N-(1-benzylpiperidin-1-ium-4-yl)-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[N-(1-benzylpiperidin-1-ium-4-yl)-C-ethyl-carbonimidoyl]barbituric acid Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NC1CC[NH+](CC1)CC2=CC=CC=C2)C3C(=O)NC(=O)NC3=O

Isomeric SMILES

CCC(=NC1CC[NH+](CC1)CC2=CC=CC=C2)C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C19H24N4O3/c1-2-15(16-17(24)21-19(26)22-18(16)25)20-14-8-10-23(11-9-14)12-13-6-4-3-5-7-13/h3-7,14,16H,2,8-12H2,1H3,(H2,21,22,24,25,26)/p+1