dimethyl (1R,2S)-4-methyl-5-pyridin-1-ium-1-yl-cyclohex-4-ene-1,2-dicarboxylate

Systemtic Name: dimethyl (1R,2S)-4-methyl-5-pyridin-1-ium-1-yl-cyclohex-4-ene-1,2-dicarboxylate Openeye Name: dimethyl (1R,2S)-4-methyl-5-pyridin-1-ium-1-yl-cyclohex-4-ene-1,2-dicarboxylate CAS Name: (1R,2S)-4-methyl-5-(1-pyridin-1-iumyl)cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2S)-4-methyl-5-pyridin-1-ium-1-ylcyclohex-4-ene-1,2-dicarboxylate Traditional Name: (1R,2S)-4-methyl-5-pyridin-1-ium-1-yl-cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester Formula: C16H20NO4+ MolecularWeight: 290.3343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)OC)C(=O)OC)[N+]2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H20NO4/c1-11-9-12(15(18)20-2)13(16(19)21-3)10-14(11)17-7-5-4-6-8-17/h4-8,12-13H,9-10H2,1-3H3/q+1/t12-,13+/m0/s1