2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H27N3OS/c1-3-17-10-8-9-16(2)22(17)25-21(27)15-26-14-7-6-12-19(26)23-24-18-11-4-5-13-20(18)28-23/h4-5,8-11,13,19H,3,6-7,12,14-15H2,1-2H3,(H,25,27)/p+1/t19-/m1/s1