(E)-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-[2-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-[2-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-[2-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-[2-(2-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-[2-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate Traditional Name: (E)-(5-carbomethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-[4,5-diketo-2-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidin-3-ylidene]methanolate Formula: C27H33N3O7 MolecularWeight: 511.56682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=CC=C4OC)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=CC=C4OC)/[O-])C)C(=O)OC

InChI

InChI=1S/C27H33N3O7/c1-16-20(17(2)28-22(16)27(34)36-4)24(31)21-23(18-8-5-6-9-19(18)35-3)30(26(33)25(21)32)11-7-10-29-12-14-37-15-13-29/h5-6,8-9,23,28,31H,7,10-15H2,1-4H3/b24-21+