(5R)-1-(4-iodophenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: (5R)-1-(4-iodophenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5R)-1-(4-iodophenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5R)-1-(4-iodophenyl)-5-[2-(1-piperidin-1-iumyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5R)-1-(4-iodophenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5R)-1-(4-iodophenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)barbituric acid Formula: C18H22IN4O3+ MolecularWeight: 469.29675

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN=CC2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1CC[NH+](CC1)CCN=C[C@@H]2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C18H21IN4O3/c19-13-4-6-14(7-5-13)23-17(25)15(16(24)21-18(23)26)12-20-8-11-22-9-2-1-3-10-22/h4-7,12,15H,1-3,8-11H2,(H,21,24,26)/p+1/t15-/m1/s1