N'-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyl]-1-oxidanidyl-pyridin-1-ium-3-carbohydrazide

Systemtic Name: N'-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyl]-1-oxidanidyl-pyridin-1-ium-3-carbohydrazide Openeye Name: N'-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]-1-oxido-pyridin-1-ium-3-carbohydrazide CAS Name: N'-[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]-1-oxido-3-pyridin-1-iumcarbohydrazide IUPAC Name: N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-1-oxidopyridin-1-ium-3-carbohydrazide Traditional Name: N'-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]-1-oxido-pyridin-1-ium-3-carbohydrazide Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4/c1-12(2)15-7-6-13(3)9-16(15)25-11-17(22)19-20-18(23)14-5-4-8-21(24)10-14/h4-10,12H,11H2,1-3H3,(H,19,22)(H,20,23)