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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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