diethyl-methyl-[2-[2,4,6-tris(oxidanylidene)-3-(phenylmethyl)-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]ethyl]azanium iodide

Systemtic Name: diethyl-methyl-[2-[2,4,6-tris(oxidanylidene)-3-(phenylmethyl)-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]ethyl]azanium iodide Openeye Name: 2-(5,5-diallyl-3-benzyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)ethyl-diethyl-methyl-ammonium iodide CAS Name: diethyl-methyl-[2-[2,4,6-trioxo-3-(phenylmethyl)-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]ethyl]ammonium iodide IUPAC Name: 2-[3-benzyl-2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]ethyl-diethyl-methylazanium iodide Traditional Name: 2-(5,5-diallyl-3-benzyl-2,4,6-triketo-hexahydropyrimidin-1-yl)ethyl-diethyl-methyl-ammonium iodide Formula: C24H34IN3O3 MolecularWeight: 539.44953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCN1C(=O)C(C(=O)N(C1=O)CC2=CC=CC=C2)(CC=C)CC=C.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCN1C(=O)C(C(=O)N(C1=O)CC2=CC=CC=C2)(CC=C)CC=C.[I-]

InChI

InChI=1S/C24H34N3O3.HI/c1-6-15-24(16-7-2)21(28)25(17-18-27(5,8-3)9-4)23(30)26(22(24)29)19-20-13-11-10-12-14-20;/h6-7,10-14H,1-2,8-9,15-19H2,3-5H3;1H/q+1;/p-1