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

Systemtic Name: 6-[4-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-(2-piperidin-1-ium-1-ylethoxy)cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-(2-piperidin-1-ium-1-ylethoxy)cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-[2-(1-piperidin-1-iumyl)ethoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-(2-piperidin-1-ium-1-ylethoxy)cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(4-methoxyphenyl)-3-pyrazolin-3-ylidene]-3-(2-piperidin-1-ium-1-ylethoxy)cyclohexa-2,4-dien-1-one Formula: C23H28N3O3+ MolecularWeight: 394.48672

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+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CNNC2=C3C=CC(=CC3=O)OCC[NH+]4CCCCC4

InChI

InChI=1S/C23H27N3O3/c1-28-18-7-5-17(6-8-18)21-16-24-25-23(21)20-10-9-19(15-22(20)27)29-14-13-26-11-3-2-4-12-26/h5-10,15-16,24-25H,2-4,11-14H2,1H3/p+1