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

Systemtic Name: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[3-(2-methylthiazol-4-yl)phenyl]-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-(2-methyl-4-thiazolyl)phenyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[3-(2-methylthiazol-4-yl)phenyl]-2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25N4OS2+ MolecularWeight: 413.5794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H24N4OS2/c1-16-22-20(15-28-16)17-4-2-5-18(12-17)23-21(26)14-25-9-7-24(8-10-25)13-19-6-3-11-27-19/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,23,26)/p+1