(1S,2S)-4-methyl-5-pyridin-1-ium-1-yl-cyclohex-4-ene-1,2-dicarboxylic acid bromide

Systemtic Name: (1S,2S)-4-methyl-5-pyridin-1-ium-1-yl-cyclohex-4-ene-1,2-dicarboxylic acid bromide Openeye Name: (1S,2S)-4-methyl-5-pyridin-1-ium-1-yl-cyclohex-4-ene-1,2-dicarboxylic acid bromide CAS Name: (1S,2S)-4-methyl-5-(1-pyridin-1-iumyl)cyclohex-4-ene-1,2-dicarboxylic acid bromide IUPAC Name: (1S,2S)-4-methyl-5-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylic acid bromide Traditional Name: (1S,2S)-4-methyl-5-pyridin-1-ium-1-yl-cyclohex-4-ene-1,2-dicarboxylic acid bromide Formula: C14H16BrNO4 MolecularWeight: 342.18514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)O)C(=O)O)[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

CC1=C(C[C@@H]([C@H](C1)C(=O)O)C(=O)O)[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C14H15NO4.BrH/c1-9-7-10(13(16)17)11(14(18)19)8-12(9)15-5-3-2-4-6-15;/h2-6,10-11H,7-8H2,1H3,(H-,16,17,18,19);1H/t10-,11-;/m0./s1