1-[(3-methylphenyl)methyl]pyridin-1-ium-4-carboxylic acid

Systemtic Name: 1-[(3-methylphenyl)methyl]pyridin-1-ium-4-carboxylic acid Openeye Name: 1-(m-tolylmethyl)pyridin-1-ium-4-carboxylic acid CAS Name: 1-[(3-methylphenyl)methyl]-4-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[(3-methylphenyl)methyl]pyridin-1-ium-4-carboxylic acid Traditional Name: 1-(3-methylbenzyl)pyridin-1-ium-4-carboxylic acid Formula: C14H14NO2+ MolecularWeight: 228.26646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO2/c1-11-3-2-4-12(9-11)10-15-7-5-13(6-8-15)14(16)17/h2-9H,10H2,1H3/p+1