3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propane-1,2-diol; ethanedioic acid

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propane-1,2-diol; ethanedioic acid Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propane-1,2-diol; oxalic acid CAS Name: 3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]propane-1,2-diol; oxalic acid IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propane-1,2-diol; oxalic acid Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazino]propane-1,2-diol; oxalic acid Formula: C16H23ClN2O6 MolecularWeight: 374.81662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(CO)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(CO)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21ClN2O2.C2H2O4/c1-11-2-3-12(15)8-14(11)17-6-4-16(5-7-17)9-13(19)10-18;3-1(4)2(5)6/h2-3,8,13,18-19H,4-7,9-10H2,1H3;(H,3,4)(H,5,6)