4-ethanoyl-5-(4-hydroxyphenyl)-6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-2-(2-pyridin-1-ium-1-ylethyl)-1H-pyridazin-3-one

Systemtic Name: 4-ethanoyl-5-(4-hydroxyphenyl)-6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-2-(2-pyridin-1-ium-1-ylethyl)-1H-pyridazin-3-one Openeye Name: 4-acetyl-5-(4-hydroxyphenyl)-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-2-(2-pyridin-1-ium-1-ylethyl)-1H-pyridazin-3-one CAS Name: 4-acetyl-5-(4-hydroxyphenyl)-6-(4-oxo-1-cyclohexa-2,5-dienylidene)-2-[2-(1-pyridin-1-iumyl)ethyl]-1H-pyridazin-3-one IUPAC Name: 4-acetyl-5-(4-hydroxyphenyl)-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-2-(2-pyridin-1-ium-1-ylethyl)-1H-pyridazin-3-one Traditional Name: 4-acetyl-5-(4-hydroxyphenyl)-6-(4-ketocyclohexa-2,5-dien-1-ylidene)-2-(2-pyridin-1-ium-1-ylethyl)-1H-pyridazin-3-one Formula: C25H22N3O4+ MolecularWeight: 428.45988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C2C=CC(=O)C=C2)NN(C1=O)CC[N+]3=CC=CC=C3)C4=CC=C(C=C4)O

Isomeric SMILES

CC(=O)C1=C(C(=C2C=CC(=O)C=C2)NN(C1=O)CC[N+]3=CC=CC=C3)C4=CC=C(C=C4)O

InChI

InChI=1S/C25H21N3O4/c1-17(29)22-23(18-5-9-20(30)10-6-18)24(19-7-11-21(31)12-8-19)26-28(25(22)32)16-15-27-13-3-2-4-14-27/h2-14H,15-16H2,1H3,(H-,26,29,30,31,32)/p+1