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

Systemtic Name: (E)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)-2-(3-propoxyphenyl)pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: (E)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: (E)-[1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-2-(3-propoxyphenyl)-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: (E)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: (E)-[4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)-2-(3-propoxyphenyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=CC=C3)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2/C(=C(/C3=CC=CC=C3)\[O-])/C(=O)C(=O)N2CC[NH+]4CCOCC4

InChI

InChI=1S/C26H30N2O5/c1-2-15-33-21-10-6-9-20(18-21)23-22(24(29)19-7-4-3-5-8-19)25(30)26(31)28(23)12-11-27-13-16-32-17-14-27/h3-10,18,23,29H,2,11-17H2,1H3/b24-22+