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

Systemtic Name: [1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-(2-thienyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-2-thiophen-2-yl-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)-2-(2-thienyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CC=CS4

InChI

InChI=1S/C21H23N3O4S/c25-19(15-4-6-22-7-5-15)17-18(16-3-1-14-29-16)24(21(27)20(17)26)9-2-8-23-10-12-28-13-11-23/h1,3-7,14,18,25H,2,8-13H2