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

Systemtic Name: (2S)-1-(4-chloranyl-2-methyl-phenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-chloro-2-methyl-phenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-chloro-2-methylphenoxy)-3-(4-methyl-1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-chloro-2-methylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-chloro-2-methyl-phenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Formula: C16H25ClNO2+ MolecularWeight: 298.8282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClNO2/c1-12-5-7-18(8-6-12)10-15(19)11-20-16-4-3-14(17)9-13(16)2/h3-4,9,12,15,19H,5-8,10-11H2,1-2H3/p+1/t15-/m0/s1