(E)-[2-(4-tert-butylphenyl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate

Systemtic Name: (E)-[2-(4-tert-butylphenyl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate Openeye Name: (E)-(4-allyloxyphenyl)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate CAS Name: (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]-(4-prop-2-enoxyphenyl)methanolate IUPAC Name: (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate Traditional Name: (E)-(4-allyloxyphenyl)-[2-(4-tert-butylphenyl)-4,5-diketo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate Formula: C30H30N2O4 MolecularWeight: 482.5702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)[O-])C(=O)C(=O)N2CC4=C[NH+]=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OCC=C)\[O-])/C(=O)C(=O)N2CC4=C[NH+]=CC=C4

InChI

InChI=1S/C30H30N2O4/c1-5-17-36-24-14-10-22(11-15-24)27(33)25-26(21-8-12-23(13-9-21)30(2,3)4)32(29(35)28(25)34)19-20-7-6-16-31-18-20/h5-16,18,26,33H,1,17,19H2,2-4H3/b27-25+