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

Systemtic Name: (E)-(4-methylphenyl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-[2-(4-allyloxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(p-tolyl)methanolate CAS Name: (E)-(4-methylphenyl)-[1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-2-(4-prop-2-enoxyphenyl)-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(4-methylphenyl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]methanolate Traditional Name: (E)-[2-(4-allyloxyphenyl)-4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidin-3-ylidene]-(p-tolyl)methanolate Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CC=C(C=C4)OCC=C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O5/c1-3-16-34-22-10-8-20(9-11-22)24-23(25(30)21-6-4-19(2)5-7-21)26(31)27(32)29(24)13-12-28-14-17-33-18-15-28/h3-11,24,30H,1,12-18H2,2H3/b25-23+