[5-chloranyl-1-(2-methoxy-2-oxidanylidene-ethyl)-6-oxidanylidene-pyridazin-4-ylidene]-methyl-(phenylmethyl)azanium

Systemtic Name: [5-chloranyl-1-(2-methoxy-2-oxidanylidene-ethyl)-6-oxidanylidene-pyridazin-4-ylidene]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[5-chloro-1-(2-methoxy-2-oxo-ethyl)-6-oxo-pyridazin-4-ylidene]-methyl-ammonium CAS Name: [5-chloro-1-(2-methoxy-2-oxoethyl)-6-oxo-4-pyridazinylidene]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[5-chloro-1-(2-methoxy-2-oxoethyl)-6-oxopyridazin-4-ylidene]-methylazanium Traditional Name: benzyl-[5-chloro-6-keto-1-(2-keto-2-methoxy-ethyl)pyridazin-4-ylidene]-methyl-ammonium Formula: C15H17ClN3O3+ MolecularWeight: 322.76678

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1C=NN(C(=O)C1Cl)CC(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

C[N+](=C1C=NN(C(=O)C1Cl)CC(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C15H17ClN3O3/c1-18(9-11-6-4-3-5-7-11)12-8-17-19(10-13(20)22-2)15(21)14(12)16/h3-8,14H,9-10H2,1-2H3/q+1