methyl 6-methyl-1-(2-oxidanylidenepropyl)pyridin-1-ium-3-carboxylate bromide

Systemtic Name: methyl 6-methyl-1-(2-oxidanylidenepropyl)pyridin-1-ium-3-carboxylate bromide Openeye Name: methyl 1-acetonyl-6-methyl-pyridin-1-ium-3-carboxylate bromide CAS Name: 6-methyl-1-(2-oxopropyl)-3-pyridin-1-iumcarboxylic acid methyl ester bromide IUPAC Name: methyl 6-methyl-1-(2-oxopropyl)pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-acetonyl-6-methyl-pyridin-1-ium-3-carboxylic acid methyl ester bromide Formula: C11H14BrNO3 MolecularWeight: 288.13776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)C(=O)OC)CC(=O)C.[Br-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)C(=O)OC)CC(=O)C.[Br-]

InChI

InChI=1S/C11H14NO3.BrH/c1-8-4-5-10(11(14)15-3)7-12(8)6-9(2)13;/h4-5,7H,6H2,1-3H3;1H/q+1;/p-1