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

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Traditional Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Formula: C20H29N5O3+2 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H27N5O3/c1-15-6-2-3-7-16(15)25-19(27)18(26)24(20(25)28)14-22-10-12-23(13-11-22)17-8-4-5-9-21-17/h4-5,8-9,15-16H,2-3,6-7,10-14H2,1H3/p+2/t15-,16-/m0/s1