methyl 2-[1-(3-methylbut-2-enyl)piperidin-1-ium-1-yl]ethanoate bromide

Systemtic Name: methyl 2-[1-(3-methylbut-2-enyl)piperidin-1-ium-1-yl]ethanoate bromide Openeye Name: methyl 2-[1-(3-methylbut-2-enyl)piperidin-1-ium-1-yl]acetate bromide CAS Name: 2-[1-(3-methylbut-2-enyl)-1-piperidin-1-iumyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-[1-(3-methylbut-2-enyl)piperidin-1-ium-1-yl]acetate bromide Traditional Name: 2-[1-(3-methylbut-2-enyl)piperidin-1-ium-1-yl]acetic acid methyl ester bromide Formula: C13H24BrNO2 MolecularWeight: 306.23916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[N+]1(CCCCC1)CC(=O)OC)C.[Br-]

Isomeric SMILES

CC(=CC[N+]1(CCCCC1)CC(=O)OC)C.[Br-]

InChI

InChI=1S/C13H24NO2.BrH/c1-12(2)7-10-14(11-13(15)16-3)8-5-4-6-9-14;/h7H,4-6,8-11H2,1-3H3;1H/q+1;/p-1