1-(1-adamantyl)-3-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione

Systemtic Name: 1-(1-adamantyl)-3-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Openeye Name: 1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-3-(1-adamantyl)imidazolidine-2,4,5-trione CAS Name: 1-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-3-(1-adamantyl)imidazolidine-2,4,5-trione IUPAC Name: 1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-3-(1-adamantyl)imidazolidine-2,4,5-trione Traditional Name: 1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-3-(1-adamantyl)imidazolidine-2,4,5-trione Formula: C26H33N4O4+ MolecularWeight: 465.56462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C(=O)N(C3=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C(=O)N(C3=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H32N4O4/c1-17(31)21-2-4-22(5-3-21)28-8-6-27(7-9-28)16-29-23(32)24(33)30(25(29)34)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-5,18-20H,6-16H2,1H3/p+1