N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H24FN4O2S+ MolecularWeight: 415.504263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H23FN4O2S/c1-2-28-15-7-8-17-19(13-15)29-21(23-17)24-20(27)14-25-9-11-26(12-10-25)18-6-4-3-5-16(18)22/h3-8,13H,2,9-12,14H2,1H3,(H,23,24,27)/p+1