4-(3,4-dichlorophenyl)-2-oxidanyl-1-(4-pentan-3-ylpiperazin-1-yl)butane-1,4-dione hydrochloride

Systemtic Name: 4-(3,4-dichlorophenyl)-2-oxidanyl-1-(4-pentan-3-ylpiperazin-1-yl)butane-1,4-dione hydrochloride Openeye Name: 4-(3,4-dichlorophenyl)-1-[4-(1-ethylpropyl)piperazin-1-yl]-2-hydroxy-butane-1,4-dione hydrochloride CAS Name: 4-(3,4-dichlorophenyl)-2-hydroxy-1-(4-pentan-3-yl-1-piperazinyl)butane-1,4-dione hydrochloride IUPAC Name: 4-(3,4-dichlorophenyl)-2-hydroxy-1-(4-pentan-3-ylpiperazin-1-yl)butane-1,4-dione hydrochloride Traditional Name: 4-(3,4-dichlorophenyl)-1-[4-(1-ethylpropyl)piperazino]-2-hydroxy-butane-1,4-dione hydrochloride Formula: C19H27Cl3N2O3 MolecularWeight: 437.78828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)C(=O)C(CC(=O)C2=CC(=C(C=C2)Cl)Cl)O.Cl

Isomeric SMILES

CCC(CC)N1CCN(CC1)C(=O)C(CC(=O)C2=CC(=C(C=C2)Cl)Cl)O.Cl

InChI

InChI=1S/C19H26Cl2N2O3.ClH/c1-3-14(4-2)22-7-9-23(10-8-22)19(26)18(25)12-17(24)13-5-6-15(20)16(21)11-13;/h5-6,11,14,18,25H,3-4,7-10,12H2,1-2H3;1H