(2S)-1-[4-(2-phenylpropan-2-yl)phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[4-(2-phenylpropan-2-yl)phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[4-(1-methyl-1-phenyl-ethyl)phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[4-(2-phenylpropan-2-yl)phenoxy]-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[4-(2-phenylpropan-2-yl)phenoxy]-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-cumylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC[C@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C22H29NO2/c1-22(2,18-8-4-3-5-9-18)19-10-12-21(13-11-19)25-17-20(24)16-23-14-6-7-15-23/h3-5,8-13,20,24H,6-7,14-17H2,1-2H3/p+1/t20-/m0/s1