2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylbutyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide Formula: C24H32N4OS+2 MolecularWeight: 424.60208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C[NH+]1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](CNC(=O)C[NH+]1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C24H30N4OS/c1-2-19(20-8-4-3-5-9-20)16-25-23(29)17-27-12-14-28(15-13-27)18-24-26-21-10-6-7-11-22(21)30-24/h3-11,19H,2,12-18H2,1H3,(H,25,29)/p+2/t19-/m1/s1