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

Systemtic Name: (E)-[2-(4-chlorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate Openeye Name: (E)-(4-allyloxyphenyl)-[2-(4-chlorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: (E)-[2-(4-chlorophenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene]-(4-prop-2-enoxyphenyl)methanolate IUPAC Name: (E)-[2-(4-chlorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate Traditional Name: (E)-(4-allyloxyphenyl)-[2-(4-chlorophenyl)-4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidin-3-ylidene]methanolate Formula: C26H27ClN2O5 MolecularWeight: 482.95598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CC=C(C=C4)Cl)[O-]

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CC=C(C=C4)Cl)/[O-]

InChI

InChI=1S/C26H27ClN2O5/c1-2-15-34-21-9-5-19(6-10-21)24(30)22-23(18-3-7-20(27)8-4-18)29(26(32)25(22)31)12-11-28-13-16-33-17-14-28/h2-10,23,30H,1,11-17H2/b24-22+