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

Systemtic Name: (2R)-1-[(2S)-2-methylpiperidin-1-ium-1-yl]-3-(2-phenylphenoxy)propan-2-ol Openeye Name: (2R)-1-[(2S)-2-methylpiperidin-1-ium-1-yl]-3-(2-phenylphenoxy)propan-2-ol CAS Name: (2R)-1-[(2S)-2-methyl-1-piperidin-1-iumyl]-3-(2-phenylphenoxy)-2-propanol IUPAC Name: (2R)-1-[(2S)-2-methylpiperidin-1-ium-1-yl]-3-(2-phenylphenoxy)propan-2-ol Traditional Name: (2R)-1-[(2S)-2-methylpiperidin-1-ium-1-yl]-3-(2-phenylphenoxy)propan-2-ol Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(COC2=CC=CC=C2C3=CC=CC=C3)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1C[C@H](COC2=CC=CC=C2C3=CC=CC=C3)O

InChI

InChI=1S/C21H27NO2/c1-17-9-7-8-14-22(17)15-19(23)16-24-21-13-6-5-12-20(21)18-10-3-2-4-11-18/h2-6,10-13,17,19,23H,7-9,14-16H2,1H3/p+1/t17-,19+/m0/s1