3-[2-(4-methylpiperidin-1-ium-1-yl)ethoxy]-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethoxy]-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethoxy]-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one CAS Name: 3-[2-(4-methyl-1-piperidin-1-iumyl)ethoxy]-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethoxy]-6-(4-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethoxy]-6-(4-phenyl-3-pyrazolin-3-ylidene)cyclohexa-2,4-dien-1-one Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCOC2=CC(=O)C(=C3C(=CNN3)C4=CC=CC=C4)C=C2

Isomeric SMILES

CC1CC[NH+](CC1)CCOC2=CC(=O)C(=C3C(=CNN3)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C23H27N3O2/c1-17-9-11-26(12-10-17)13-14-28-19-7-8-20(22(27)15-19)23-21(16-24-25-23)18-5-3-2-4-6-18/h2-8,15-17,24-25H,9-14H2,1H3/p+1