2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3-fluoro-4-methyl-phenyl)methyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-fluoro-4-methyl-benzyl)acetamide Formula: C22H25FN3OS+ MolecularWeight: 398.516803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C22H24FN3OS/c1-15-6-7-16(12-18(15)23)13-24-21(27)14-26-10-8-17(9-11-26)22-25-19-4-2-3-5-20(19)28-22/h2-7,12,17H,8-11,13-14H2,1H3,(H,24,27)/p+1