1-(2-methylpropyl)-3-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione

Systemtic Name: 1-(2-methylpropyl)-3-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Openeye Name: 1-isobutyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione CAS Name: 1-(2-methylpropyl)-3-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-(2-methylpropyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Traditional Name: 1-isobutyl-3-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Formula: C17H23N4O4S+ MolecularWeight: 379.45392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H22N4O4S/c1-12(2)10-20-15(23)16(24)21(17(20)25)11-18-5-7-19(8-6-18)14(22)13-4-3-9-26-13/h3-4,9,12H,5-8,10-11H2,1-2H3/p+1