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

Systemtic Name: (2S)-1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-chloro-3,5-dimethyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-chloro-3,5-dimethyl-phenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C16H26ClN2O2+ MolecularWeight: 313.84284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(CN2CC[NH+](CC2)C)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC[C@H](CN2CC[NH+](CC2)C)O

InChI

InChI=1S/C16H25ClN2O2/c1-12-8-15(9-13(2)16(12)17)21-11-14(20)10-19-6-4-18(3)5-7-19/h8-9,14,20H,4-7,10-11H2,1-3H3/p+1/t14-/m0/s1