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

Systemtic Name: (2S)-1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-chloro-3,5-dimethyl-phenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-(4-methyl-1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-chloro-3,5-dimethyl-phenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Formula: C17H27ClNO2+ MolecularWeight: 312.85478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(COC2=CC(=C(C(=C2)C)Cl)C)O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](COC2=CC(=C(C(=C2)C)Cl)C)O

InChI

InChI=1S/C17H26ClNO2/c1-12-4-6-19(7-5-12)10-15(20)11-21-16-8-13(2)17(18)14(3)9-16/h8-9,12,15,20H,4-7,10-11H2,1-3H3/p+1/t15-/m0/s1