4-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]benzoate

Systemtic Name: 4-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]benzoate Openeye Name: 4-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]benzoate CAS Name: 4-[[(5-methyl-2-pyridin-1-iumyl)amino]methyl]benzoate IUPAC Name: 4-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]benzoate Traditional Name: 4-[[(5-methylpyridin-1-ium-2-yl)amino]methyl]benzoate Formula: C14H14N2O2 MolecularWeight: 242.27316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)NCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=C[NH+]=C(C=C1)NCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H14N2O2/c1-10-2-7-13(15-8-10)16-9-11-3-5-12(6-4-11)14(17)18/h2-8H,9H2,1H3,(H,15,16)(H,17,18)