2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol

Systemtic Name: 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol Openeye Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol CAS Name: 2-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-4,5-dimethylphenol IUPAC Name: 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethylphenol Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol Formula: C20H26ClN2O+ MolecularWeight: 345.88624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=C(C=C(C(=C3)C)C)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=C(C=C(C(=C3)C)C)O

InChI

InChI=1S/C20H25ClN2O/c1-14-4-5-18(21)12-19(14)23-8-6-22(7-9-23)13-17-10-15(2)16(3)11-20(17)24/h4-5,10-12,24H,6-9,13H2,1-3H3/p+1