4-fluoranyl-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 4-fluoranyl-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: 4-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]benzothiophene-2-carboxamide CAS Name: 4-fluoro-N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 4-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]benzothiophene-2-carboxamide Formula: C17H17FN3O2S2+ MolecularWeight: 378.464183

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CSC(=N2)NC(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

C1COCC[NH+]1CC2=CSC(=N2)NC(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C17H16FN3O2S2/c18-13-2-1-3-14-12(13)8-15(25-14)16(22)20-17-19-11(10-24-17)9-21-4-6-23-7-5-21/h1-3,8,10H,4-7,9H2,(H,19,20,22)/p+1