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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-13-6-8-18(9-7-13)11-16(19)12-20-17-5-4-14(2)15(3)10-17/h4-5,10,13,16,19H,6-9,11-12H2,1-3H3/p+1/t16-/m0/s1