N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoranyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoranyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoro-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C22H25FN3O2S+ MolecularWeight: 414.516203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN3O2S/c1-15-13-19-20(14-16(15)2)29-22(24-19)26(8-7-25-9-11-28-12-10-25)21(27)17-3-5-18(23)6-4-17/h3-6,13-14H,7-12H2,1-2H3/p+1