N-[1-(4-methylphenyl)ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[1-(4-methylphenyl)ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 1-oxido-N-[1-(p-tolyl)ethyl]pyridin-1-ium-3-carboxamide CAS Name: N-[1-(4-methylphenyl)ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[1-(4-methylphenyl)ethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 1-oxido-N-[1-(p-tolyl)ethyl]pyridin-1-ium-3-carboxamide Formula: C15H16N2O2 MolecularWeight: 256.29974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O2/c1-11-5-7-13(8-6-11)12(2)16-15(18)14-4-3-9-17(19)10-14/h3-10,12H,1-2H3,(H,16,18)