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

Systemtic Name: (2S)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Openeye Name: (2S)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2S)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-(4-methyl-1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2S)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Traditional Name: (2S)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C20H36N2O3+2 MolecularWeight: 352.51144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCOCC(C[NH+]2CC[NH+](CC2)C)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCOC[C@H](C[NH+]2CC[NH+](CC2)C)O

InChI

InChI=1S/C20H34N2O3/c1-20(2,3)17-5-7-19(8-6-17)25-14-13-24-16-18(23)15-22-11-9-21(4)10-12-22/h5-8,18,23H,9-16H2,1-4H3/p+2/t18-/m0/s1