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

Systemtic Name: [1-[3-(diethylazaniumyl)propyl]-4,5-bis(oxidanylidene)-2-pyridin-3-yl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(3-pyridyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(3-pyridinyl)-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [1-[3-(diethylazaniumyl)propyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [1-[3-(diethylammonio)propyl]-4,5-diketo-2-(3-pyridyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C22H26N4O3 MolecularWeight: 394.46684

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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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-3-25(4-2)13-6-14-26-19(17-7-5-10-24-15-17)18(21(28)22(26)29)20(27)16-8-11-23-12-9-16/h5,7-12,15,19,27H,3-4,6,13-14H2,1-2H3