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

Systemtic Name: [1-[3-(dimethylazaniumyl)propyl]-4,5-bis(oxidanylidene)-2-pyridin-4-yl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(4-pyridyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-pyridin-4-yl-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [1-[3-(dimethylazaniumyl)propyl]-4,5-dioxo-2-pyridin-4-ylpyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [1-[3-(dimethylammonio)propyl]-4,5-diketo-2-(4-pyridyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3/c1-23(2)12-3-13-24-17(14-4-8-21-9-5-14)16(19(26)20(24)27)18(25)15-6-10-22-11-7-15/h4-11,17,25H,3,12-13H2,1-2H3