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

Systemtic Name: (E)-(4-methoxyphenyl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)-2-(4-propoxyphenyl)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(4-methoxyphenyl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(4-methoxyphenyl)-[1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-2-(4-propoxyphenyl)-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(4-methoxyphenyl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene]methanolate Traditional Name: (E)-[4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)-2-(4-propoxyphenyl)pyrrolidin-3-ylidene]-(4-methoxyphenyl)methanolate Formula: C27H32N2O6 MolecularWeight: 480.55278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O6/c1-3-16-35-22-10-4-19(5-11-22)24-23(25(30)20-6-8-21(33-2)9-7-20)26(31)27(32)29(24)13-12-28-14-17-34-18-15-28/h4-11,24,30H,3,12-18H2,1-2H3/b25-23+