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

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Traditional Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H26N4O4S/c1-14-5-2-3-6-15(14)24-19(27)18(26)23(20(24)28)13-21-8-10-22(11-9-21)17(25)16-7-4-12-29-16/h4,7,12,14-15H,2-3,5-6,8-11,13H2,1H3/p+1/t14-,15-/m0/s1