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

Systemtic Name: 5-[C-methyl-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-methyl-carbonimidoyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-[[1-(phenylmethyl)-4-piperidin-1-iumyl]imino]ethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[N-(1-benzylpiperidin-1-ium-4-yl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[N-(1-benzylpiperidin-1-ium-4-yl)-C-methyl-carbonimidoyl]barbituric acid Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3/c1-12(15-16(23)20-18(25)21-17(15)24)19-14-7-9-22(10-8-14)11-13-5-3-2-4-6-13/h2-6,14-15H,7-11H2,1H3,(H2,20,21,23,24,25)/p+1