N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-[(2-fluorophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[4-(2-fluorobenzyl)piperazin-1-ium-1-yl]acetamide Formula: C22H26FN4OS+ MolecularWeight: 413.531443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4F

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H25FN4OS/c1-2-27(22-24-19-9-5-6-10-20(19)29-22)21(28)16-26-13-11-25(12-14-26)15-17-7-3-4-8-18(17)23/h3-10H,2,11-16H2,1H3/p+1