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

Systemtic Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)-2-thiophen-2-yl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-(2-thienyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-thiophen-2-yl-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-diketo-2-(2-thienyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2CCC[N+]4=CNC=C4

Isomeric SMILES

C1=CSC(=C1)C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2CCC[N+]4=CNC=C4

InChI

InChI=1S/C20H18N4O3S/c25-18(14-4-6-21-7-5-14)16-17(15-3-1-12-28-15)24(20(27)19(16)26)10-2-9-23-11-8-22-13-23/h1,3-8,11-13,17H,2,9-10H2,(H,25,26)