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

Systemtic Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Openeye Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione CAS Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-[(1R,2S)-2-methylcyclohexyl]-3-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Traditional Name: 1-[(4-mesylpiperazin-1-ium-1-yl)methyl]-3-[(1R,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione Formula: C16H27N4O5S+ MolecularWeight: 387.47438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O5S/c1-12-5-3-4-6-13(12)20-15(22)14(21)19(16(20)23)11-17-7-9-18(10-8-17)26(2,24)25/h12-13H,3-11H2,1-2H3/p+1/t12-,13+/m0/s1