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

Systemtic Name: 6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-(2-piperidin-1-ium-1-ylethoxy)cyclohexa-2,4-dien-1-one Openeye Name: 6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-(2-piperidin-1-ium-1-ylethoxy)cyclohexa-2,4-dien-1-one CAS Name: 6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-[2-(1-piperidin-1-iumyl)ethoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-(2-piperidin-1-ium-1-ylethoxy)cyclohexa-2,4-dien-1-one Traditional Name: 6-(4-phenyl-3-pyrazolin-3-ylidene)-3-(2-piperidin-1-ium-1-ylethoxy)cyclohexa-2,4-dien-1-one Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC(=O)C(=C3C(=CNN3)C4=CC=CC=C4)C=C2

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC(=O)C(=C3C(=CNN3)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C22H25N3O2/c26-21-15-18(27-14-13-25-11-5-2-6-12-25)9-10-19(21)22-20(16-23-24-22)17-7-3-1-4-8-17/h1,3-4,7-10,15-16,23-24H,2,5-6,11-14H2/p+1