(4Z)-4-[3-(5-bromanyl-4-methyl-4-propan-2-yl-cyclooctyl)propylidene]-1,3-oxazol-3-ium bromide

Systemtic Name: (4Z)-4-[3-(5-bromanyl-4-methyl-4-propan-2-yl-cyclooctyl)propylidene]-1,3-oxazol-3-ium bromide Openeye Name: (4Z)-4-[3-(5-bromo-4-isopropyl-4-methyl-cyclooctyl)propylidene]oxazol-3-ium bromide CAS Name: (4Z)-4-[3-(5-bromo-4-methyl-4-propan-2-ylcyclooctyl)propylidene]oxazol-3-ium bromide IUPAC Name: (4Z)-4-[3-(5-bromo-4-methyl-4-propan-2-ylcyclooctyl)propylidene]-1,3-oxazol-3-ium bromide Traditional Name: (4Z)-4-[3-(5-bromo-4-isopropyl-4-methyl-cyclooctyl)propylidene]-2-oxazolin-3-ium bromide Formula: C18H31Br2NO MolecularWeight: 437.25284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCC(CCCC1Br)CCC=C2COC=[NH+]2)C.[Br-]

Isomeric SMILES

CC(C)C1(CCC(CCCC1Br)CC/C=C\2/COC=[NH+]2)C.[Br-]

InChI

InChI=1S/C18H30BrNO.BrH/c1-14(2)18(3)11-10-15(7-5-9-17(18)19)6-4-8-16-12-21-13-20-16;/h8,13-15,17H,4-7,9-12H2,1-3H3;1H/b16-8-;