methyl 1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-(4-tert-butyl-2,6-dimethyl-benzyl)pyridin-1-ium-3-carboxylic acid methyl ester Formula: C20H26NO2+ MolecularWeight: 312.42594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C[N+]2=CC=CC(=C2)C(=O)OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1C[N+]2=CC=CC(=C2)C(=O)OC)C)C(C)(C)C

InChI

InChI=1S/C20H26NO2/c1-14-10-17(20(3,4)5)11-15(2)18(14)13-21-9-7-8-16(12-21)19(22)23-6/h7-12H,13H2,1-6H3/q+1