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

Systemtic Name: (E)-[2-(3,4-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate Openeye Name: (E)-[2-(3,4-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate CAS Name: (E)-[2-(3,4-dimethoxyphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene]-(4-propoxyphenyl)methanolate IUPAC Name: (E)-[2-(3,4-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate Traditional Name: (E)-[2-(3,4-dimethoxyphenyl)-4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate Formula: C28H34N2O7 MolecularWeight: 510.57876

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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(=C(C=C4)OC)OC)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O7/c1-4-15-37-21-8-5-19(6-9-21)26(31)24-25(20-7-10-22(34-2)23(18-20)35-3)30(28(33)27(24)32)12-11-29-13-16-36-17-14-29/h5-10,18,25,31H,4,11-17H2,1-3H3/b26-24+