(E)-(3-chloranyl-4-methoxy-phenyl)-[2-(4-ethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-(3-chloranyl-4-methoxy-phenyl)-[2-(4-ethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(3-chloro-4-methoxy-phenyl)-[2-(4-ethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(3-chloro-4-methoxyphenyl)-[2-(4-ethoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(3-chloro-4-methoxyphenyl)-[2-(4-ethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate Traditional Name: (E)-(3-chloro-4-methoxy-phenyl)-[4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)-2-p-phenetyl-pyrrolidin-3-ylidene]methanolate Formula: C27H31ClN2O6 MolecularWeight: 514.99784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)Cl)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)Cl)\[O-])/C(=O)C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C27H31ClN2O6/c1-3-36-20-8-5-18(6-9-20)24-23(25(31)19-7-10-22(34-2)21(28)17-19)26(32)27(33)30(24)12-4-11-29-13-15-35-16-14-29/h5-10,17,24,31H,3-4,11-16H2,1-2H3/b25-23+