(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-cyclopropyl-2-phenylacetamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-2-phenylacetamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-2-phenyl-acetamide Formula: C23H28N4OS+2 MolecularWeight: 408.55962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H26N4OS/c28-23(24-18-10-11-18)22(17-6-2-1-3-7-17)27-14-12-26(13-15-27)16-21-25-19-8-4-5-9-20(19)29-21/h1-9,18,22H,10-16H2,(H,24,28)/p+2/t22-/m1/s1