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

Systemtic Name: (E)-[2-(4-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(2-methyl-4-phenylmethoxy-phenyl)methanolate Openeye Name: (E)-(4-benzyloxy-2-methyl-phenyl)-[2-(4-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: (E)-[2-(4-bromophenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-(2-methyl-4-phenylmethoxyphenyl)methanolate IUPAC Name: (E)-[2-(4-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(2-methyl-4-phenylmethoxyphenyl)methanolate Traditional Name: (E)-(4-benzoxy-2-methyl-phenyl)-[2-(4-bromophenyl)-4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidin-3-ylidene]methanolate Formula: C32H33BrN2O5 MolecularWeight: 605.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCC[NH+]4CCOCC4)C5=CC=C(C=C5)Br)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCC[NH+]4CCOCC4)C5=CC=C(C=C5)Br)/[O-]

InChI

InChI=1S/C32H33BrN2O5/c1-22-20-26(40-21-23-6-3-2-4-7-23)12-13-27(22)30(36)28-29(24-8-10-25(33)11-9-24)35(32(38)31(28)37)15-5-14-34-16-18-39-19-17-34/h2-4,6-13,20,29,36H,5,14-19,21H2,1H3/b30-28+