(2S)-1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-chloro-3,5-dimethyl-phenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-(4-ethyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-chloro-3,5-dimethyl-phenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Formula: C17H28ClN2O2+ MolecularWeight: 327.86942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27ClN2O2/c1-4-19-5-7-20(8-6-19)11-15(21)12-22-16-9-13(2)17(18)14(3)10-16/h9-10,15,21H,4-8,11-12H2,1-3H3/p+1/t15-/m0/s1