(2S)-1-piperidin-1-ium-1-yl-3-(4-propan-2-ylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-piperidin-1-ium-1-yl-3-(4-propan-2-ylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-isopropylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(1-piperidin-1-iumyl)-3-(4-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-piperidin-1-ium-1-yl-3-(4-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-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=C(C=C1)OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-14(2)15-6-8-17(9-7-15)20-13-16(19)12-18-10-4-3-5-11-18/h6-9,14,16,19H,3-5,10-13H2,1-2H3/p+1/t16-/m0/s1