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

Systemtic Name: (3S)-3-[4-(2-phenylpropan-2-yl)phenoxy]pyrrolidin-1-ium Openeye Name: (3S)-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]pyrrolidin-1-ium CAS Name: (3S)-3-[4-(2-phenylpropan-2-yl)phenoxy]pyrrolidin-1-ium IUPAC Name: (3S)-3-[4-(2-phenylpropan-2-yl)phenoxy]pyrrolidin-1-ium Traditional Name: (3S)-3-(4-cumylphenoxy)pyrrolidin-1-ium Formula: C19H24NO+ MolecularWeight: 282.39996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3CC[NH2+]C3

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O[C@H]3CC[NH2+]C3

InChI

InChI=1S/C19H23NO/c1-19(2,15-6-4-3-5-7-15)16-8-10-17(11-9-16)21-18-12-13-20-14-18/h3-11,18,20H,12-14H2,1-2H3/p+1/t18-/m0/s1