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

Systemtic Name: 1-(4-fluorophenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-fluorophenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-fluorophenyl)-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-fluorophenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-fluorophenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]barbituric acid Formula: C18H22FN4O3+ MolecularWeight: 361.390683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN4O3/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/h4-7,12,20H,1-3,8-11H2,(H,21,24,26)/p+1