2-(4-methoxyphenyl)-4-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbonimidoyl]-5-phenyl-4H-pyrazol-3-one

Systemtic Name: 2-(4-methoxyphenyl)-4-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbonimidoyl]-5-phenyl-4H-pyrazol-3-one Openeye Name: 2-(4-methoxyphenyl)-4-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbonimidoyl]-5-phenyl-4H-pyrazol-3-one CAS Name: 2-(4-methoxyphenyl)-5-phenyl-4-[1-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)imino]ethyl]-4H-pyrazol-3-one IUPAC Name: 2-(4-methoxyphenyl)-4-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbonimidoyl]-5-phenyl-4H-pyrazol-3-one Traditional Name: 2-(4-methoxyphenyl)-4-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbonimidoyl]-5-phenyl-2-pyrazolin-3-one Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1CC([NH2+]C(C1)(C)C)(C)C)C2C(=NN(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC(=NC1CC([NH2+]C(C1)(C)C)(C)C)C2C(=NN(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-18(28-20-16-26(2,3)30-27(4,5)17-20)23-24(19-10-8-7-9-11-19)29-31(25(23)32)21-12-14-22(33-6)15-13-21/h7-15,20,23,30H,16-17H2,1-6H3/p+1