2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C26H36N6OS+2 MolecularWeight: 480.66864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H34N6OS/c1-2-29-15-17-32(18-16-29)22-9-7-21(8-10-22)27-25(33)19-30-11-13-31(14-12-30)20-26-28-23-5-3-4-6-24(23)34-26/h3-10H,2,11-20H2,1H3,(H,27,33)/p+2