1-butyl-3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione

Systemtic Name: 1-butyl-3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Openeye Name: 1-butyl-3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione CAS Name: 1-butyl-3-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-butyl-3-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Traditional Name: 1-butyl-3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Formula: C19H26ClN4O3+ MolecularWeight: 393.88774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CCCCN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C19H25ClN4O3/c1-3-4-7-23-17(25)18(26)24(19(23)27)13-21-8-10-22(11-9-21)16-12-15(20)6-5-14(16)2/h5-6,12H,3-4,7-11,13H2,1-2H3/p+1