methyl 2-(1-hexa-1,5-dien-3-ylpiperidin-1-ium-1-yl)ethanoate bromide

Systemtic Name: methyl 2-(1-hexa-1,5-dien-3-ylpiperidin-1-ium-1-yl)ethanoate bromide Openeye Name: methyl 2-[1-(1-vinylbut-3-enyl)piperidin-1-ium-1-yl]acetate bromide CAS Name: 2-(1-hexa-1,5-dien-3-yl-1-piperidin-1-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(1-hexa-1,5-dien-3-ylpiperidin-1-ium-1-yl)acetate bromide Traditional Name: 2-[1-(1-vinylbut-3-enyl)piperidin-1-ium-1-yl]acetic acid methyl ester bromide Formula: C14H24BrNO2 MolecularWeight: 318.24986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24NO2.BrH/c1-4-9-13(5-2)15(12-14(16)17-3)10-7-6-8-11-15;/h4-5,13H,1-2,6-12H2,3H3;1H/q+1;/p-1