[(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-oxidanyl-propyl]-cyclohexyl-methyl-azanium

Systemtic Name: [(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-oxidanyl-propyl]-cyclohexyl-methyl-azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]-methyl-ammonium CAS Name: [(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclohexyl-methylammonium IUPAC Name: [(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclohexyl-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]-methyl-ammonium Formula: C20H34NO2+ MolecularWeight: 320.48946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(C[NH+](C)C2CCCCC2)O

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OC[C@H](C[NH+](C)C2CCCCC2)O

InChI

InChI=1S/C20H33NO2/c1-4-16(2)19-12-8-9-13-20(19)23-15-18(22)14-21(3)17-10-6-5-7-11-17/h8-9,12-13,16-18,22H,4-7,10-11,14-15H2,1-3H3/p+1/t16-,18-/m0/s1