3-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propyl-diethyl-(phenylmethyl)azanium bromide

Systemtic Name: 3-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propyl-diethyl-(phenylmethyl)azanium bromide Openeye Name: benzyl-[3-(3,6-dimethyl-2,4-dioxo-pyrimidin-1-yl)propyl]-diethyl-ammonium bromide CAS Name: 3-(3,6-dimethyl-2,4-dioxo-1-pyrimidinyl)propyl-diethyl-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-[3-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)propyl]-diethylazanium bromide Traditional Name: benzyl-[3-(2,4-diketo-3,6-dimethyl-pyrimidin-1-yl)propyl]-diethyl-ammonium bromide Formula: C20H30BrN3O2 MolecularWeight: 424.3751

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCCN1C(=CC(=O)N(C1=O)C)C)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CC[N+](CC)(CCCN1C(=CC(=O)N(C1=O)C)C)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C20H30N3O2.BrH/c1-5-23(6-2,16-18-11-8-7-9-12-18)14-10-13-22-17(3)15-19(24)21(4)20(22)25;/h7-9,11-12,15H,5-6,10,13-14,16H2,1-4H3;1H/q+1;/p-1