1-(3-chlorophenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(3-chlorophenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3-chlorophenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-chlorophenyl)-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3-chlorophenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3-chlorophenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]barbituric acid Formula: C18H22ClN4O3+ MolecularWeight: 377.84528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCNC=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4O3/c19-13-5-4-6-14(11-13)23-17(25)15(16(24)21-18(23)26)12-20-7-10-22-8-2-1-3-9-22/h4-6,11-12,20H,1-3,7-10H2,(H,21,24,26)/p+1