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

Systemtic Name: (2S)-1-(2,3-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(2,3-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(2,3-dimethylphenoxy)-3-[(2S)-2-methyl-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2,3-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(2,3-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=CC=CC(=C2C)C)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1C[C@@H](COC2=CC=CC(=C2C)C)O

InChI

InChI=1S/C17H27NO2/c1-13-7-6-9-17(15(13)3)20-12-16(19)11-18-10-5-4-8-14(18)2/h6-7,9,14,16,19H,4-5,8,10-12H2,1-3H3/p+1/t14-,16-/m0/s1