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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(COC2=CC=C(C=C2)C3CCCCC3)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)C[C@H](COC2=CC=C(C=C2)C3CCCCC3)O

InChI

InChI=1S/C21H33NO2/c1-17-6-5-13-22(14-17)15-20(23)16-24-21-11-9-19(10-12-21)18-7-3-2-4-8-18/h9-12,17-18,20,23H,2-8,13-16H2,1H3/p+1/t17-,20+/m0/s1