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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)NCCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3OS/c27-22(24-14-6-10-18-8-2-1-3-9-18)17-26-15-7-11-19(16-26)23-25-20-12-4-5-13-21(20)28-23/h1-5,8-9,12-13,19H,6-7,10-11,14-17H2,(H,24,27)/p+1/t19-/m1/s1