4-chloranyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 4-chloranyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-chloro-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-chloro-2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-chloro-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-chloro-2-[[4-(2,3-dimethylphenyl)piperazino]methyl]phenol; oxalic acid Formula: C21H25ClN2O5 MolecularWeight: 420.8866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CC3=C(C=CC(=C3)Cl)O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CC3=C(C=CC(=C3)Cl)O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23ClN2O.C2H2O4/c1-14-4-3-5-18(15(14)2)22-10-8-21(9-11-22)13-16-12-17(20)6-7-19(16)23;3-1(4)2(5)6/h3-7,12,23H,8-11,13H2,1-2H3;(H,3,4)(H,5,6)