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

Systemtic Name: (2S)-1-(2-tert-butylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(2-tert-butylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(2-tert-butylphenoxy)-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-tert-butylphenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(2-tert-butylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(C[NH+]2CCCC2)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC[C@H](C[NH+]2CCCC2)O

InChI

InChI=1S/C17H27NO2/c1-17(2,3)15-8-4-5-9-16(15)20-13-14(19)12-18-10-6-7-11-18/h4-5,8-9,14,19H,6-7,10-13H2,1-3H3/p+1/t14-/m0/s1