2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-cyclohexylacetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexylacetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-acetamide Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)NC(=O)C[NH+]2CCCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H27N3OS/c24-19(21-15-8-2-1-3-9-15)14-23-13-7-6-11-17(23)20-22-16-10-4-5-12-18(16)25-20/h4-5,10,12,15,17H,1-3,6-9,11,13-14H2,(H,21,24)/p+1/t17-/m1/s1