2-[(1-ethylpiperidin-1-ium-1-yl)methyl]isoindole-1,3-dione bromide

Systemtic Name: 2-[(1-ethylpiperidin-1-ium-1-yl)methyl]isoindole-1,3-dione bromide Openeye Name: 2-[(1-ethylpiperidin-1-ium-1-yl)methyl]isoindoline-1,3-dione bromide CAS Name: 2-[(1-ethyl-1-piperidin-1-iumyl)methyl]isoindole-1,3-dione bromide IUPAC Name: 2-[(1-ethylpiperidin-1-ium-1-yl)methyl]isoindole-1,3-dione bromide Traditional Name: 2-[(1-ethylpiperidin-1-ium-1-yl)methyl]isoindoline-1,3-quinone bromide Formula: C16H21BrN2O2 MolecularWeight: 353.25414

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)CN2C(=O)C3=CC=CC=C3C2=O.[Br-]

Isomeric SMILES

CC[N+]1(CCCCC1)CN2C(=O)C3=CC=CC=C3C2=O.[Br-]

InChI

InChI=1S/C16H21N2O2.BrH/c1-2-18(10-6-3-7-11-18)12-17-15(19)13-8-4-5-9-14(13)16(17)20;/h4-5,8-9H,2-3,6-7,10-12H2,1H3;1H/q+1;/p-1