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

Systemtic Name: (2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: (2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: (2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-cyclopropyl-2-phenylacetamide IUPAC Name: (2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopropyl-2-phenylacetamide Traditional Name: (2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopropyl-2-phenyl-acetamide Formula: C23H26N3OS+ MolecularWeight: 392.53704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C(C2=CC=CC=C2)C(=O)NC3CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)[C@H](C2=CC=CC=C2)C(=O)NC3CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H25N3OS/c27-22(24-18-12-13-18)21(16-7-2-1-3-8-16)26-14-6-9-17(15-26)23-25-19-10-4-5-11-20(19)28-23/h1-5,7-8,10-11,17-18,21H,6,9,12-15H2,(H,24,27)/p+1/t17-,21+/m0/s1