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

Systemtic Name: (E)-(4-chlorophenyl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)-2-phenyl-pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(4-chlorophenyl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-phenyl-pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(4-chlorophenyl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-phenyl-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(4-chlorophenyl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]methanolate Traditional Name: (E)-(4-chlorophenyl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-diketo-2-phenyl-pyrrolidin-3-ylidene]methanolate Formula: C23H20ClN3O3 MolecularWeight: 421.8762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=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/C23H20ClN3O3/c24-18-9-7-17(8-10-18)21(28)19-20(16-5-2-1-3-6-16)27(23(30)22(19)29)13-4-12-26-14-11-25-15-26/h1-3,5-11,14-15,20H,4,12-13H2,(H,28,29)