2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]ethanamide

Systemtic Name: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide Formula: C22H25ClN3OS+ MolecularWeight: 414.9714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C22H24ClN3OS/c1-15(16-5-3-2-4-6-16)24-21(27)14-26-11-9-17(10-12-26)22-25-19-13-18(23)7-8-20(19)28-22/h2-8,13,15,17H,9-12,14H2,1H3,(H,24,27)/p+1/t15-/m0/s1