(2S)-1-(4-tert-butyl-2-methyl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(4-tert-butyl-2-methyl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-tert-butyl-2-methyl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(4-tert-butyl-2-methylphenoxy)-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-tert-butyl-2-methylphenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-tert-butyl-2-methyl-phenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(C[NH+]2CCCC2)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC[C@H](C[NH+]2CCCC2)O

InChI

InChI=1S/C18H29NO2/c1-14-11-15(18(2,3)4)7-8-17(14)21-13-16(20)12-19-9-5-6-10-19/h7-8,11,16,20H,5-6,9-10,12-13H2,1-4H3/p+1/t16-/m0/s1