[(2S)-1-(1,3-benzoxazol-2-yl)heptan-2-yl]azanium

Systemtic Name: [(2S)-1-(1,3-benzoxazol-2-yl)heptan-2-yl]azanium Openeye Name: [(1S)-1-(1,3-benzoxazol-2-ylmethyl)hexyl]ammonium CAS Name: [(2S)-1-(1,3-benzoxazol-2-yl)heptan-2-yl]ammonium IUPAC Name: [(2S)-1-(1,3-benzoxazol-2-yl)heptan-2-yl]azanium Traditional Name: [(1S)-1-(1,3-benzoxazol-2-ylmethyl)hexyl]ammonium Formula: C14H21N2O+ MolecularWeight: 233.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC1=NC2=CC=CC=C2O1)[NH3+]

Isomeric SMILES

CCCCC[C@@H](CC1=NC2=CC=CC=C2O1)[NH3+]

InChI

InChI=1S/C14H20N2O/c1-2-3-4-7-11(15)10-14-16-12-8-5-6-9-13(12)17-14/h5-6,8-9,11H,2-4,7,10,15H2,1H3/p+1/t11-/m0/s1