[4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate

Systemtic Name: [4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)-2-(2-thienyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-2-thiophen-2-yl-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)-2-thiophen-2-ylpyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [4,5-diketo-1-(pyridin-1-ium-3-ylmethyl)-2-(2-thienyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=C[NH+]=C1)CN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CC=CS4

InChI

InChI=1S/C20H15N3O3S/c24-18(14-5-8-21-9-6-14)16-17(15-4-2-10-27-15)23(20(26)19(16)25)12-13-3-1-7-22-11-13/h1-11,17,24H,12H2