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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide Formula: C23H30N4OS+2 MolecularWeight: 410.5755

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c1-18(19-7-3-2-4-8-19)15-24-22(28)16-26-11-13-27(14-12-26)17-23-25-20-9-5-6-10-21(20)29-23/h2-10,18H,11-17H2,1H3,(H,24,28)/p+2/t18-/m1/s1