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

Systemtic Name: diethyl-[2-[2,4,6-tris(oxidanylidene)-3-(phenylmethyl)-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]ethyl]azanium chloride Openeye Name: 2-(5,5-diallyl-3-benzyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)ethyl-diethyl-ammonium chloride CAS Name: diethyl-[2-[2,4,6-trioxo-3-(phenylmethyl)-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]ethyl]ammonium chloride IUPAC Name: 2-[3-benzyl-2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]ethyl-diethylazanium chloride Traditional Name: 2-(5,5-diallyl-3-benzyl-2,4,6-triketo-hexahydropyrimidin-1-yl)ethyl-diethyl-ammonium chloride Formula: C23H32ClN3O3 MolecularWeight: 433.97148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3.ClH/c1-5-14-23(15-6-2)20(27)25(17-16-24(7-3)8-4)22(29)26(21(23)28)18-19-12-10-9-11-13-19;/h5-6,9-13H,1-2,7-8,14-18H2,3-4H3;1H