1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-4-thiophen-2-ylcarbonyl-pyrrolidine-2,3-dione

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-4-thiophen-2-ylcarbonyl-pyrrolidine-2,3-dione Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-4-[oxo(thiophen-2-yl)methyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-4-(2-thenoyl)pyrrolidine-2,3-quinone Formula: C21H25N3O4S+2 MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(C(=O)C2=O)C(=O)C3=CC=CS3)C4=C[NH+]=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(C(C(=O)C2=O)C(=O)C3=CC=CS3)C4=C[NH+]=CC=C4

InChI

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