(5E)-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)propylidene]hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-1-phenyl-5-[1-[3-(1-piperidin-1-iumyl)propylamino]propylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)propylidene]-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-1-phenyl-5-[1-(3-piperidin-1-ium-1-ylpropylamino)propylidene]barbituric acid Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)NCCC[NH+]3CCCCC3

Isomeric SMILES

CC/C(=C\1/C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)/NCCC[NH+]3CCCCC3

InChI

InChI=1S/C21H28N4O3/c1-2-17(22-12-9-15-24-13-7-4-8-14-24)18-19(26)23-21(28)25(20(18)27)16-10-5-3-6-11-16/h3,5-6,10-11,22H,2,4,7-9,12-15H2,1H3,(H,23,26,28)/p+1/b18-17+