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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C4=CC(=CC=C4)F

InChI

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