N-(2-methoxy-5-methyl-phenyl)-2-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[1-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]ethyl]amino]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[[2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N4O4S/c1-15-5-6-17(29-2)16(12-15)23-19(26)13-22-20(27)14-24-7-9-25(10-8-24)21(28)18-4-3-11-30-18/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,27)(H,23,26)/p+1