1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidin-1-ium

Systemtic Name: 1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidin-1-ium Openeye Name: 1-[2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]ethyl]pyrrolidin-1-ium CAS Name: 1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidin-1-ium IUPAC Name: 1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidin-1-ium Traditional Name: 1-[2-(4-cumylphenoxy)ethyl]pyrrolidin-1-ium Formula: C21H28NO+ MolecularWeight: 310.45312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO/c1-21(2,18-8-4-3-5-9-18)19-10-12-20(13-11-19)23-17-16-22-14-6-7-15-22/h3-5,8-13H,6-7,14-17H2,1-2H3/p+1