1-oxidanidyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-oxido-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-oxido-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-oxido-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridin-1-ium-3-carboxamide Formula: C17H16N4O2 MolecularWeight: 308.33454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C17H16N4O2/c22-17(15-5-4-10-20(23)13-15)18-9-8-14-11-19-21(12-14)16-6-2-1-3-7-16/h1-7,10-13H,8-9H2,(H,18,22)