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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN3O4/c1-2-16-34-21-10-6-18(7-11-21)23-22(24(31)19-4-8-20(27)9-5-19)25(32)26(33)30(23)14-3-13-29-15-12-28-17-29/h4-12,15,17,23H,2-3,13-14,16H2,1H3,(H,31,32)