(2S)-1-(4-tert-butylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(4-tert-butylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-tert-butylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(4-tert-butylphenoxy)-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-tert-butylphenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-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=C(C=C1)OCC(C[NH+]2CCCC2)O

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-17(2,3)14-6-8-16(9-7-14)20-13-15(19)12-18-10-4-5-11-18/h6-9,15,19H,4-5,10-13H2,1-3H3/p+1/t15-/m0/s1