4-[3-azanyl-4-methyl-6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridazin-2-ium-2-yl]butanoic acid

Systemtic Name: 4-[3-azanyl-4-methyl-6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridazin-2-ium-2-yl]butanoic acid Openeye Name: 4-[3-amino-4-methyl-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridazin-2-ium-2-yl]butanoic acid CAS Name: 4-[3-amino-4-methyl-6-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridazin-2-ium-2-yl]butanoic acid IUPAC Name: 4-[3-amino-4-methyl-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridazin-2-ium-2-yl]butanoic acid Traditional Name: 4-[3-amino-6-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-methyl-1H-pyridazin-2-ium-2-yl]butyric acid Formula: C15H18N3O3+ MolecularWeight: 288.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC(=O)C=C2)N[N+](=C1N)CCCC(=O)O

Isomeric SMILES

CC1=CC(=C2C=CC(=O)C=C2)N[N+](=C1N)CCCC(=O)O

InChI

InChI=1S/C15H17N3O3/c1-10-9-13(11-4-6-12(19)7-5-11)17-18(15(10)16)8-2-3-14(20)21/h4-7,9,16H,2-3,8H2,1H3,(H2,17,19,20,21)/p+1