[2-(3,4-dichlorophenyl)-1-[3-(diethylazaniumyl)propyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate

Systemtic Name: [2-(3,4-dichlorophenyl)-1-[3-(diethylazaniumyl)propyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [2-(3,4-dichlorophenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [2-(3,4-dichlorophenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxo-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [2-(3,4-dichlorophenyl)-1-[3-(diethylazaniumyl)propyl]-4,5-dioxopyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [2-(3,4-dichlorophenyl)-1-[3-(diethylammonio)propyl]-4,5-diketo-pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C23H25Cl2N3O3 MolecularWeight: 462.3689

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C2=CC=NC=C2)[O-])C(=O)C1=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC[NH+](CC)CCCN1C(C(=C(C2=CC=NC=C2)[O-])C(=O)C1=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H25Cl2N3O3/c1-3-27(4-2)12-5-13-28-20(16-6-7-17(24)18(25)14-16)19(22(30)23(28)31)21(29)15-8-10-26-11-9-15/h6-11,14,20,29H,3-5,12-13H2,1-2H3