3-[1-[2,4,6-tris(oxidanylidene)-5-phenyl-1,3-diazinan-5-yl]piperidin-1-ium-1-yl]propanal

Systemtic Name: 3-[1-[2,4,6-tris(oxidanylidene)-5-phenyl-1,3-diazinan-5-yl]piperidin-1-ium-1-yl]propanal Openeye Name: 3-[1-(2,4,6-trioxo-5-phenyl-hexahydropyrimidin-5-yl)piperidin-1-ium-1-yl]propanal CAS Name: 3-[1-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-1-piperidin-1-iumyl]propanal IUPAC Name: 3-[1-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)piperidin-1-ium-1-yl]propanal Traditional Name: 3-[1-(2,4,6-triketo-5-phenyl-hexahydropyrimidin-5-yl)piperidin-1-ium-1-yl]propionaldehyde Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCC=O)C2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[N+](CC1)(CCC=O)C2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4/c22-13-7-12-21(10-5-2-6-11-21)18(14-8-3-1-4-9-14)15(23)19-17(25)20-16(18)24/h1,3-4,8-9,13H,2,5-7,10-12H2,(H-,19,20,23,24,25)/p+1