(E)-(5-methyl-1-phenyl-pyrazol-4-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-(5-methyl-1-phenyl-pyrazol-4-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(5-methyl-1-phenyl-pyrazol-4-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(5-methyl-1-phenyl-4-pyrazolyl)-[1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(5-methyl-1-phenylpyrazol-4-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]methanolate Traditional Name: (E)-[4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(5-methyl-1-phenyl-pyrazol-4-yl)methanolate Formula: C30H34N4O7 MolecularWeight: 562.61356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC[NH+]4CCOCC4)C5=CC(=C(C(=C5)OC)OC)OC)[O-]

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CC[NH+]4CCOCC4)C5=CC(=C(C(=C5)OC)OC)OC)/[O-]

InChI

InChI=1S/C30H34N4O7/c1-19-22(18-31-34(19)21-8-6-5-7-9-21)27(35)25-26(20-16-23(38-2)29(40-4)24(17-20)39-3)33(30(37)28(25)36)11-10-32-12-14-41-15-13-32/h5-9,16-18,26,35H,10-15H2,1-4H3/b27-25+