(2S)-1-(4-cyclohexylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-cyclohexylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-cyclohexylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-cyclohexylphenoxy)-3-(4-methyl-1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-cyclohexylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-cyclohexylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Formula: C21H34NO2+ MolecularWeight: 332.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C3CCCCC3)O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C3CCCCC3)O

InChI

InChI=1S/C21H33NO2/c1-17-11-13-22(14-12-17)15-20(23)16-24-21-9-7-19(8-10-21)18-5-3-2-4-6-18/h7-10,17-18,20,23H,2-6,11-16H2,1H3/p+1/t20-/m0/s1