2-bromanyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide

Systemtic Name: 2-bromanyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide Openeye Name: 2-bromo-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide CAS Name: 2-bromo-3-[5-(1-methyl-1-piperidin-1-iumyl)pentyl]-1-cyclohexa-2,4-dienone iodide IUPAC Name: 2-bromo-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide Traditional Name: 2-bromo-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide Formula: C17H27BrINO MolecularWeight: 468.21085

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCCCCC2=C(C(=O)CC=C2)Br.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCCCCC2=C(C(=O)CC=C2)Br.[I-]

InChI

InChI=1S/C17H27BrNO.HI/c1-19(13-6-3-7-14-19)12-5-2-4-9-15-10-8-11-16(20)17(15)18;/h8,10H,2-7,9,11-14H2,1H3;1H/q+1;/p-1