6-[4-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-(2-morpholin-4-ium-4-ylethoxy)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-(2-morpholin-4-ium-4-ylethoxy)cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-(2-morpholin-4-ium-4-ylethoxy)cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-[2-(4-morpholin-4-iumyl)ethoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-(2-morpholin-4-ium-4-ylethoxy)cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(4-methoxyphenyl)-3-pyrazolin-3-ylidene]-3-(2-morpholin-4-ium-4-ylethoxy)cyclohexa-2,4-dien-1-one Formula: C22H26N3O4+ MolecularWeight: 396.45954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CNNC2=C3C=CC(=CC3=O)OCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CNNC2=C3C=CC(=CC3=O)OCC[NH+]4CCOCC4

InChI

InChI=1S/C22H25N3O4/c1-27-17-4-2-16(3-5-17)20-15-23-24-22(20)19-7-6-18(14-21(19)26)29-13-10-25-8-11-28-12-9-25/h2-7,14-15,23-24H,8-13H2,1H3/p+1