4-cyano-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 4-cyano-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 4-cyano-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 4-cyano-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-cyano-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 4-cyano-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H20FN4O2S+ MolecularWeight: 411.472503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN4O2S/c22-17-2-1-3-18-19(17)24-21(29-18)26(9-8-25-10-12-28-13-11-25)20(27)16-6-4-15(14-23)5-7-16/h1-7H,8-13H2/p+1