(2S)-1-(2,4-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(2,4-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(2,4-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(2,4-dimethylphenoxy)-3-[(2S)-2-methyl-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2,4-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(2,4-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-13-7-8-17(14(2)10-13)20-12-16(19)11-18-9-5-4-6-15(18)3/h7-8,10,15-16,19H,4-6,9,11-12H2,1-3H3/p+1/t15-,16-/m0/s1