N-[4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenyl-ethanamide

Systemtic Name: N-[4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenyl-ethanamide Openeye Name: N-[4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]thiazol-2-yl]-N-phenyl-acetamide CAS Name: N-[4-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-2-thiazolyl]-N-phenylacetamide IUPAC Name: N-[4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide Traditional Name: N-[4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]thiazol-2-yl]-N-phenyl-acetamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H24N4O2S/c1-17(27)26(20-5-3-2-4-6-20)22-23-18(16-29-22)15-24-11-13-25(14-12-24)19-7-9-21(28)10-8-19/h2-10,16,28H,11-15H2,1H3/p+1