N-[(E)-(3,5-dimethyl-1-pentyl-pyrazol-4-yl)methylideneamino]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[(E)-(3,5-dimethyl-1-pentyl-pyrazol-4-yl)methylideneamino]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(E)-(3,5-dimethyl-1-pentyl-pyrazol-4-yl)methyleneamino]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[(E)-(3,5-dimethyl-1-pentyl-4-pyrazolyl)methylideneamino]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(E)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[(E)-(1-amyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C17H23N5O2 MolecularWeight: 329.39682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C(=N1)C)C=NNC(=O)C2=CC=[N+](C=C2)[O-])C

Isomeric SMILES

CCCCCN1C(=C(C(=N1)C)/C=N/NC(=O)C2=CC=[N+](C=C2)[O-])C

InChI

InChI=1S/C17H23N5O2/c1-4-5-6-9-22-14(3)16(13(2)20-22)12-18-19-17(23)15-7-10-21(24)11-8-15/h7-8,10-12H,4-6,9H2,1-3H3,(H,19,23)/b18-12+