methyl 4-methyl-3-pyridin-1-ium-1-yl-cyclohex-3-ene-1-carboxylate bromide

Systemtic Name: methyl 4-methyl-3-pyridin-1-ium-1-yl-cyclohex-3-ene-1-carboxylate bromide Openeye Name: methyl 4-methyl-3-pyridin-1-ium-1-yl-cyclohex-3-ene-1-carboxylate bromide CAS Name: 4-methyl-3-(1-pyridin-1-iumyl)-1-cyclohex-3-enecarboxylic acid methyl ester bromide IUPAC Name: methyl 4-methyl-3-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylate bromide Traditional Name: 4-methyl-3-pyridin-1-ium-1-yl-cyclohex-3-ene-1-carboxylic acid methyl ester bromide Formula: C14H18BrNO2 MolecularWeight: 312.20222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1)C(=O)OC)[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

CC1=C(CC(CC1)C(=O)OC)[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C14H18NO2.BrH/c1-11-6-7-12(14(16)17-2)10-13(11)15-8-4-3-5-9-15;/h3-5,8-9,12H,6-7,10H2,1-2H3;1H/q+1;/p-1