(E)-[2-(4-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(4-methoxy-3-methyl-phenyl)methanolate

Systemtic Name: (E)-[2-(4-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(4-methoxy-3-methyl-phenyl)methanolate Openeye Name: (E)-[2-(4-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-methoxy-3-methyl-phenyl)methanolate CAS Name: (E)-[2-(4-bromophenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-(4-methoxy-3-methylphenyl)methanolate IUPAC Name: (E)-[2-(4-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(4-methoxy-3-methylphenyl)methanolate Traditional Name: (E)-[2-(4-bromophenyl)-4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidin-3-ylidene]-(4-methoxy-3-methyl-phenyl)methanolate Formula: C26H29BrN2O5 MolecularWeight: 529.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29BrN2O5/c1-17-16-19(6-9-21(17)33-2)24(30)22-23(18-4-7-20(27)8-5-18)29(26(32)25(22)31)11-3-10-28-12-14-34-15-13-28/h4-9,16,23,30H,3,10-15H2,1-2H3/b24-22+