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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCCCN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H22N4O4S/c1-2-3-6-20-15(23)16(24)21(17(20)25)12-18-7-9-19(10-8-18)14(22)13-5-4-11-26-13/h4-5,11H,2-3,6-10,12H2,1H3/p+1