(2R)-1-(4-methylphenoxy)-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(4-methylphenoxy)-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(4-methylphenoxy)-3-[4-(p-tolyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-(4-methylphenoxy)-3-[4-(4-methylphenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-(4-methylphenoxy)-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-(4-methylphenoxy)-3-[4-(p-tolyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)C)O

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)C[C@H](COC3=CC=C(C=C3)C)O

InChI

InChI=1S/C21H28N2O2/c1-17-3-7-19(8-4-17)23-13-11-22(12-14-23)15-20(24)16-25-21-9-5-18(2)6-10-21/h3-10,20,24H,11-16H2,1-2H3/p+1/t20-/m1/s1