3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)propanoic acid

Systemtic Name: 3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)propanoic acid Openeye Name: 3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)propanoic acid CAS Name: 3-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)propanoic acid IUPAC Name: 3-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)propanoic acid Traditional Name: 3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)propionic acid Formula: C16H18NO2+ MolecularWeight: 256.31962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CCC(=O)O)C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=[N+]1CCC(=O)O)C)C2=CC=CC=C2

InChI

InChI=1S/C16H17NO2/c1-12-10-15(14-6-4-3-5-7-14)11-13(2)17(12)9-8-16(18)19/h3-7,10-11H,8-9H2,1-2H3/p+1