6-(5-methyl-4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-(2-morpholin-4-ium-4-ylethoxy)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-(5-methyl-4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-(2-morpholin-4-ium-4-ylethoxy)cyclohexa-2,4-dien-1-one Openeye Name: 6-(5-methyl-4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-(2-morpholin-4-ium-4-ylethoxy)cyclohexa-2,4-dien-1-one CAS Name: 6-(5-methyl-4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-[2-(4-morpholin-4-iumyl)ethoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-(5-methyl-4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-(2-morpholin-4-ium-4-ylethoxy)cyclohexa-2,4-dien-1-one Traditional Name: 6-(5-methyl-4-phenyl-3-pyrazolin-3-ylidene)-3-(2-morpholin-4-ium-4-ylethoxy)cyclohexa-2,4-dien-1-one Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC(=CC2=O)OCC[NH+]3CCOCC3)NN1)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C2C=CC(=CC2=O)OCC[NH+]3CCOCC3)NN1)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3/c1-16-21(17-5-3-2-4-6-17)22(24-23-16)19-8-7-18(15-20(19)26)28-14-11-25-9-12-27-13-10-25/h2-8,15,23-24H,9-14H2,1H3/p+1