[(1S,2R)-2-[(2S)-octan-2-yl]oxy-1-phenyl-butyl]azanium

Systemtic Name: [(1S,2R)-2-[(2S)-octan-2-yl]oxy-1-phenyl-butyl]azanium Openeye Name: [(1S,2R)-2-[(1S)-1-methylheptoxy]-1-phenyl-butyl]ammonium CAS Name: [(1S,2R)-2-[(2S)-octan-2-yl]oxy-1-phenylbutyl]ammonium IUPAC Name: [(1S,2R)-2-[(2S)-octan-2-yl]oxy-1-phenylbutyl]azanium Traditional Name: [(1S,2R)-2-[(1S)-1-methylheptoxy]-1-phenyl-butyl]ammonium Formula: C18H32NO+ MolecularWeight: 278.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(CC)C(C1=CC=CC=C1)[NH3+]

Isomeric SMILES

CCCCCC[C@H](C)O[C@H](CC)[C@H](C1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C18H31NO/c1-4-6-7-9-12-15(3)20-17(5-2)18(19)16-13-10-8-11-14-16/h8,10-11,13-15,17-18H,4-7,9,12,19H2,1-3H3/p+1/t15-,17+,18-/m0/s1