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

Systemtic Name: (2S)-1-(2-tert-butylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(2-tert-butylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(2-tert-butylphenoxy)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-tert-butylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(2-tert-butylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO2/c1-18(2,3)16-9-5-6-10-17(16)21-14-15(20)13-19-11-7-4-8-12-19/h5-6,9-10,15,20H,4,7-8,11-14H2,1-3H3/p+1/t15-/m0/s1