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

Systemtic Name: (E)-[2-(3,4-dichlorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate Openeye Name: (E)-[2-(3,4-dichlorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate CAS Name: (E)-[2-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene]-(4-propoxyphenyl)methanolate IUPAC Name: (E)-[2-(3,4-dichlorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate Traditional Name: (E)-[2-(3,4-dichlorophenyl)-4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate Formula: C26H28Cl2N2O5 MolecularWeight: 519.41692

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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)Cl)Cl)[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)Cl)Cl)/[O-]

InChI

InChI=1S/C26H28Cl2N2O5/c1-2-13-35-19-6-3-17(4-7-19)24(31)22-23(18-5-8-20(27)21(28)16-18)30(26(33)25(22)32)10-9-29-11-14-34-15-12-29/h3-8,16,23,31H,2,9-15H2,1H3/b24-22+