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

Systemtic Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[1-[4-(1-imidazolyl)phenyl]ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C17H16N4O2 MolecularWeight: 308.33454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C17H16N4O2/c1-13(19-17(22)15-3-2-9-21(23)11-15)14-4-6-16(7-5-14)20-10-8-18-12-20/h2-13H,1H3,(H,19,22)