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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC4=C(S3)C=C(C=C4)F

InChI

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