(E)-(4-chlorophenyl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)-2-(3-propoxyphenyl)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-(4-chlorophenyl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)-2-(3-propoxyphenyl)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(4-chlorophenyl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(4-chlorophenyl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-(3-propoxyphenyl)-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(4-chlorophenyl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene]methanolate Traditional Name: (E)-(4-chlorophenyl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-diketo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene]methanolate Formula: C26H26ClN3O4 MolecularWeight: 479.95534

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)Cl)[O-])C(=O)C(=O)N2CCC[N+]4=CNC=C4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\[O-])/C(=O)C(=O)N2CCC[N+]4=CNC=C4

InChI

InChI=1S/C26H26ClN3O4/c1-2-15-34-21-6-3-5-19(16-21)23-22(24(31)18-7-9-20(27)10-8-18)25(32)26(33)30(23)13-4-12-29-14-11-28-17-29/h3,5-11,14,16-17,23H,2,4,12-13,15H2,1H3,(H,31,32)