(2S)-1-(4-tert-butylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(4-tert-butylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-tert-butylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(4-tert-butylphenoxy)-3-[(2R,6R)-2,6-dimethyl-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-tert-butylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(4-tert-butylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol Formula: C20H34NO2+ MolecularWeight: 320.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(COC2=CC=C(C=C2)C(C)(C)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO2/c1-15-7-6-8-16(2)21(15)13-18(22)14-23-19-11-9-17(10-12-19)20(3,4)5/h9-12,15-16,18,22H,6-8,13-14H2,1-5H3/p+1/t15-,16-,18+/m1/s1