3-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1H-quinazoline-2,4-dione bromide

Systemtic Name: 3-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1H-quinazoline-2,4-dione bromide Openeye Name: 3-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1H-quinazoline-2,4-dione bromide CAS Name: 3-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]-1H-quinazoline-2,4-dione bromide IUPAC Name: 3-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1H-quinazoline-2,4-dione bromide Traditional Name: 3-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-1H-quinazoline-2,4-quinone bromide Formula: C16H22BrN3O2 MolecularWeight: 368.26878

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCN2C(=O)C3=CC=CC=C3NC2=O.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1)CCN2C(=O)C3=CC=CC=C3NC2=O.[Br-]

InChI

InChI=1S/C16H21N3O2.BrH/c1-19(10-5-2-6-11-19)12-9-18-15(20)13-7-3-4-8-14(13)17-16(18)21;/h3-4,7-8H,2,5-6,9-12H2,1H3;1H