6-[4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-(2-piperidin-1-ium-1-ylethoxy)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-(2-piperidin-1-ium-1-ylethoxy)cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-(2-piperidin-1-ium-1-ylethoxy)cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-[2-(1-piperidin-1-iumyl)ethoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-(2-piperidin-1-ium-1-ylethoxy)cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(4-methoxyphenyl)-5-methyl-3-pyrazolin-3-ylidene]-3-(2-piperidin-1-ium-1-ylethoxy)cyclohexa-2,4-dien-1-one Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC(=CC2=O)OCC[NH+]3CCCCC3)NN1)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=C2C=CC(=CC2=O)OCC[NH+]3CCCCC3)NN1)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H29N3O3/c1-17-23(18-6-8-19(29-2)9-7-18)24(26-25-17)21-11-10-20(16-22(21)28)30-15-14-27-12-4-3-5-13-27/h6-11,16,25-26H,3-5,12-15H2,1-2H3/p+1