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

Systemtic Name: (E)-(3,4-dimethoxyphenyl)-[2-(4-ethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(3,4-dimethoxyphenyl)-[2-(4-ethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(3,4-dimethoxyphenyl)-[2-(4-ethoxyphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(3,4-dimethoxyphenyl)-[2-(4-ethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate Traditional Name: (E)-[4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)-2-p-phenetyl-pyrrolidin-3-ylidene]-(3,4-dimethoxyphenyl)methanolate Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)OC)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)OC)\[O-])/C(=O)C(=O)N2CC[NH+]4CCOCC4

InChI

InChI=1S/C27H32N2O7/c1-4-36-20-8-5-18(6-9-20)24-23(25(30)19-7-10-21(33-2)22(17-19)34-3)26(31)27(32)29(24)12-11-28-13-15-35-16-14-28/h5-10,17,24,30H,4,11-16H2,1-3H3/b25-23+