(2S)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-isopropylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-methyl-1-piperazine-1,4-diiumyl)-3-(4-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-isopropylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C17H30N2O2+2 MolecularWeight: 294.4323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-14(2)15-4-6-17(7-5-15)21-13-16(20)12-19-10-8-18(3)9-11-19/h4-7,14,16,20H,8-13H2,1-3H3/p+2/t16-/m0/s1