(E)-[4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(4-methoxy-2-methyl-phenyl)methanolate

Systemtic Name: (E)-[4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(4-methoxy-2-methyl-phenyl)methanolate Openeye Name: (E)-[4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(4-methoxy-2-methyl-phenyl)methanolate CAS Name: (E)-[4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene]-(4-methoxy-2-methylphenyl)methanolate IUPAC Name: (E)-[4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(4-methoxy-2-methylphenyl)methanolate Traditional Name: (E)-[4,5-diketo-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(4-methoxy-2-methyl-phenyl)methanolate Formula: C28H28N2O7 MolecularWeight: 504.53112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC)/C(=C\2/C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)/[O-]

InChI

InChI=1S/C28H28N2O7/c1-16-11-19(34-2)8-9-20(16)25(31)23-24(18-12-21(35-3)27(37-5)22(13-18)36-4)30(28(33)26(23)32)15-17-7-6-10-29-14-17/h6-14,24,31H,15H2,1-5H3/b25-23+