N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-ethanamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-ethanamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-acetamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-phenylacetamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenylacetamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-acetamide Formula: C21H23FN3O2S+ MolecularWeight: 400.489623

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(C2=NC3=C(C=CC=C3S2)F)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN(C2=NC3=C(C=CC=C3S2)F)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22FN3O2S/c22-17-7-4-8-18-20(17)23-21(28-18)25(10-9-24-11-13-27-14-12-24)19(26)15-16-5-2-1-3-6-16/h1-8H,9-15H2/p+1