[(2S)-butan-2-yl]-[3-(4-propoxyphenoxy)propyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[3-(4-propoxyphenoxy)propyl]azanium Openeye Name: [(1S)-1-methylpropyl]-[3-(4-propoxyphenoxy)propyl]ammonium CAS Name: [(2S)-butan-2-yl]-[3-(4-propoxyphenoxy)propyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[3-(4-propoxyphenoxy)propyl]azanium Traditional Name: [(1S)-1-methylpropyl]-[3-(4-propoxyphenoxy)propyl]ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCC[NH2+]C(C)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCC[NH2+][C@@H](C)CC

InChI

InChI=1S/C16H27NO2/c1-4-12-18-15-7-9-16(10-8-15)19-13-6-11-17-14(3)5-2/h7-10,14,17H,4-6,11-13H2,1-3H3/p+1/t14-/m0/s1