(2S)-1-piperidin-1-ium-1-yl-3-(2-propan-2-ylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-piperidin-1-ium-1-yl-3-(2-propan-2-ylphenoxy)propan-2-ol Openeye Name: (2S)-1-(2-isopropylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(1-piperidin-1-iumyl)-3-(2-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-piperidin-1-ium-1-yl-3-(2-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-(2-isopropylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C17H27NO2/c1-14(2)16-8-4-5-9-17(16)20-13-15(19)12-18-10-6-3-7-11-18/h4-5,8-9,14-15,19H,3,6-7,10-13H2,1-2H3/p+1/t15-/m0/s1