(2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol CAS Name: (2S)-1-(4-methyl-1-piperazin-4-iumyl)-3-(2,3,5-trimethylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol Formula: C17H29N2O2+ MolecularWeight: 293.42436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC(CN2CC[NH+](CC2)C)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC[C@H](CN2CC[NH+](CC2)C)O)C)C

InChI

InChI=1S/C17H28N2O2/c1-13-9-14(2)15(3)17(10-13)21-12-16(20)11-19-7-5-18(4)6-8-19/h9-10,16,20H,5-8,11-12H2,1-4H3/p+1/t16-/m0/s1