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

Systemtic Name: (E)-[2-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate Openeye Name: (E)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-(p-tolyl)pyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate CAS Name: (E)-[2-(4-methylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-(4-propoxyphenyl)methanolate IUPAC Name: (E)-[2-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate Traditional Name: (E)-[4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)-2-(p-tolyl)pyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate Formula: C28H34N2O5 MolecularWeight: 478.57996

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=C(C=C4)C)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=C(C=C4)C)/[O-]

InChI

InChI=1S/C28H34N2O5/c1-3-17-35-23-11-9-22(10-12-23)26(31)24-25(21-7-5-20(2)6-8-21)30(28(33)27(24)32)14-4-13-29-15-18-34-19-16-29/h5-12,25,31H,3-4,13-19H2,1-2H3/b26-24+