[(2R)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 2-(4-tert-butylphenoxy)ethanoate

Systemtic Name: [(2R)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 2-(4-tert-butylphenoxy)ethanoate Openeye Name: [(1R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl] 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid [(2R)-1-(4-methyl-1-piperazin-4-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid [(1R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl] ester Formula: C20H33N2O3+ MolecularWeight: 349.48762

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CC[NH+](CC1)C)OC(=O)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](CN1CC[NH+](CC1)C)OC(=O)COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H32N2O3/c1-16(14-22-12-10-21(5)11-13-22)25-19(23)15-24-18-8-6-17(7-9-18)20(2,3)4/h6-9,16H,10-15H2,1-5H3/p+1/t16-/m1/s1