(2S)-1-piperidin-1-ium-1-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-piperidin-1-ium-1-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol Openeye Name: (2S)-1-piperidin-1-ium-1-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol CAS Name: (2S)-1-(1-piperidin-1-iumyl)-3-(2,4,6-trimethylphenoxy)-2-propanol IUPAC Name: (2S)-1-piperidin-1-ium-1-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol Traditional Name: (2S)-1-piperidin-1-ium-1-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(C[NH+]2CCCCC2)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OC[C@H](C[NH+]2CCCCC2)O)C

InChI

InChI=1S/C17H27NO2/c1-13-9-14(2)17(15(3)10-13)20-12-16(19)11-18-7-5-4-6-8-18/h9-10,16,19H,4-8,11-12H2,1-3H3/p+1/t16-/m0/s1