(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-isopropylpyrazol-3-yl)propanamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-isopropylpyrazol-3-yl)propionamide Formula: C21H28N5OS+ MolecularWeight: 398.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=NN1C(C)C)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H27N5OS/c1-14(2)26-19(8-11-22-26)24-20(27)15(3)25-12-9-16(10-13-25)21-23-17-6-4-5-7-18(17)28-21/h4-8,11,14-16H,9-10,12-13H2,1-3H3,(H,24,27)/p+1/t15-/m1/s1