(2R)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol Openeye Name: (2R)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2R)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-(4-ethyl-1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2R)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol Traditional Name: (2R)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C21H38N2O3+2 MolecularWeight: 366.53802

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC(COCCOC2=CC=C(C=C2)C(C)(C)C)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)C[C@H](COCCOC2=CC=C(C=C2)C(C)(C)C)O

InChI

InChI=1S/C21H36N2O3/c1-5-22-10-12-23(13-11-22)16-19(24)17-25-14-15-26-20-8-6-18(7-9-20)21(2,3)4/h6-9,19,24H,5,10-17H2,1-4H3/p+2/t19-/m1/s1