3-[2-[2-(2-methylphenoxy)ethanoyl]hydrazinyl]-N-pyridin-1-ium-2-yl-but-3-enamide

Systemtic Name: 3-[2-[2-(2-methylphenoxy)ethanoyl]hydrazinyl]-N-pyridin-1-ium-2-yl-but-3-enamide Openeye Name: 3-[2-[2-(2-methylphenoxy)acetyl]hydrazino]-N-pyridin-1-ium-2-yl-but-3-enamide CAS Name: 3-[[2-(2-methylphenoxy)-1-oxoethyl]hydrazo]-N-(2-pyridin-1-iumyl)-3-butenamide IUPAC Name: 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-1-ium-2-ylbut-3-enamide Traditional Name: 3-[N'-[2-(2-methylphenoxy)acetyl]hydrazino]-N-pyridin-1-ium-2-yl-but-3-enamide Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NNC(=C)CC(=O)NC2=CC=CC=[NH+]2

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NNC(=C)CC(=O)NC2=CC=CC=[NH+]2

InChI

InChI=1S/C18H20N4O3/c1-13-7-3-4-8-15(13)25-12-18(24)22-21-14(2)11-17(23)20-16-9-5-6-10-19-16/h3-10,21H,2,11-12H2,1H3,(H,22,24)(H,19,20,23)/p+1