[(1R)-1-(2,4-dimethylphenyl)-2-[(2S)-octan-2-yl]oxy-ethyl]azanium

Systemtic Name: [(1R)-1-(2,4-dimethylphenyl)-2-[(2S)-octan-2-yl]oxy-ethyl]azanium Openeye Name: [(1R)-1-(2,4-dimethylphenyl)-2-[(1S)-1-methylheptoxy]ethyl]ammonium CAS Name: [(1R)-1-(2,4-dimethylphenyl)-2-[(2S)-octan-2-yl]oxyethyl]ammonium IUPAC Name: [(1R)-1-(2,4-dimethylphenyl)-2-[(2S)-octan-2-yl]oxyethyl]azanium Traditional Name: [(1R)-1-(2,4-dimethylphenyl)-2-[(1S)-1-methylheptoxy]ethyl]ammonium Formula: C18H32NO+ MolecularWeight: 278.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCC(C1=C(C=C(C=C1)C)C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C18H31NO/c1-5-6-7-8-9-16(4)20-13-18(19)17-11-10-14(2)12-15(17)3/h10-12,16,18H,5-9,13,19H2,1-4H3/p+1/t16-,18-/m0/s1