(2S)-1-(4-chloranyl-3-methyl-phenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-chloranyl-3-methyl-phenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-chloro-3-methyl-phenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-chloro-3-methylphenoxy)-3-(4-ethyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-chloro-3-methylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-chloro-3-methyl-phenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Formula: C16H26ClN2O2+ MolecularWeight: 313.84284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC(=C(C=C2)Cl)C)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC(=C(C=C2)Cl)C)O

InChI

InChI=1S/C16H25ClN2O2/c1-3-18-6-8-19(9-7-18)11-14(20)12-21-15-4-5-16(17)13(2)10-15/h4-5,10,14,20H,3,6-9,11-12H2,1-2H3/p+1/t14-/m0/s1