methyl 2-(1-prop-2-enylpiperidin-1-ium-1-yl)pent-4-enoate bromide

Systemtic Name: methyl 2-(1-prop-2-enylpiperidin-1-ium-1-yl)pent-4-enoate bromide Openeye Name: methyl 2-(1-allylpiperidin-1-ium-1-yl)pent-4-enoate bromide CAS Name: 2-(1-prop-2-enyl-1-piperidin-1-iumyl)-4-pentenoic acid methyl ester bromide IUPAC Name: methyl 2-(1-prop-2-enylpiperidin-1-ium-1-yl)pent-4-enoate bromide Traditional Name: 2-(1-allylpiperidin-1-ium-1-yl)pent-4-enoic acid methyl ester bromide Formula: C14H24BrNO2 MolecularWeight: 318.24986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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