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

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Traditional Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Formula: C19H27N6O3+ MolecularWeight: 387.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H26N6O3/c1-14-5-2-3-6-15(14)25-17(27)16(26)24(19(25)28)13-22-9-11-23(12-10-22)18-20-7-4-8-21-18/h4,7-8,14-15H,2-3,5-6,9-13H2,1H3/p+1/t14-,15-/m0/s1