(2R)-1-(2-tert-butylphenoxy)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(2-tert-butylphenoxy)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(2-tert-butylphenoxy)-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-(2-tert-butylphenoxy)-3-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-(2-tert-butylphenoxy)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-(2-tert-butylphenoxy)-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C24H34ClN2O2+ MolecularWeight: 417.99196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(COC3=CC=CC=C3C(C)(C)C)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C[C@H](COC3=CC=CC=C3C(C)(C)C)O

InChI

InChI=1S/C24H33ClN2O2/c1-18-9-10-19(25)15-22(18)27-13-11-26(12-14-27)16-20(28)17-29-23-8-6-5-7-21(23)24(2,3)4/h5-10,15,20,28H,11-14,16-17H2,1-4H3/p+1/t20-/m1/s1