3-[4-[azanyl-[(1E)-1-(3-methyl-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-2-ium-6-one

Systemtic Name: 3-[4-[azanyl-[(1E)-1-(3-methyl-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-2-ium-6-one Openeye Name: 3-[4-[amino-[(1E)-1-(2-hydroxy-3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-2-ium-6-one CAS Name: 3-[4-[amino-[(1E)-1-(2-hydroxy-3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)ethyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-2-ium-6-one IUPAC Name: 3-[4-[amino-[(1E)-1-(2-hydroxy-3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-2-ium-6-one Traditional Name: 3-[4-[amino-[(1E)-1-(2-hydroxy-4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-2-ium-6-one Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N[NH+]=C1C2=CC=C(C=C2)N(C(=C3C=CC(=O)C(=C3O)C)C)N

Isomeric SMILES

CC1CC(=O)N[NH+]=C1C2=CC=C(C=C2)N(/C(=C/3\C=CC(=O)C(=C3O)C)/C)N

InChI

InChI=1S/C20H22N4O3/c1-11-10-18(26)22-23-19(11)14-4-6-15(7-5-14)24(21)13(3)16-8-9-17(25)12(2)20(16)27/h4-9,11,27H,10,21H2,1-3H3,(H,22,26)/p+1/b16-13+