6-(5-methyl-4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-[2-(4-methylpiperidin-1-ium-1-yl)ethoxy]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-(5-methyl-4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-[2-(4-methylpiperidin-1-ium-1-yl)ethoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-(5-methyl-4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-[2-(4-methylpiperidin-1-ium-1-yl)ethoxy]cyclohexa-2,4-dien-1-one CAS Name: 6-(5-methyl-4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-[2-(4-methyl-1-piperidin-1-iumyl)ethoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-(5-methyl-4-phenyl-1,2-dihydropyrazol-3-ylidene)-3-[2-(4-methylpiperidin-1-ium-1-yl)ethoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-(5-methyl-4-phenyl-3-pyrazolin-3-ylidene)-3-[2-(4-methylpiperidin-1-ium-1-yl)ethoxy]cyclohexa-2,4-dien-1-one Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCOC2=CC(=O)C(=C3C(=C(NN3)C)C4=CC=CC=C4)C=C2

Isomeric SMILES

CC1CC[NH+](CC1)CCOC2=CC(=O)C(=C3C(=C(NN3)C)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C24H29N3O2/c1-17-10-12-27(13-11-17)14-15-29-20-8-9-21(22(28)16-20)24-23(18(2)25-26-24)19-6-4-3-5-7-19/h3-9,16-17,25-26H,10-15H2,1-2H3/p+1