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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CC=CC=C4OC)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CC=CC=C4OC)/[O-]

InChI

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