[(1S,2S)-1-(4-methoxyphenyl)-2-(4-methylpentoxy)propyl]azanium

Systemtic Name: [(1S,2S)-1-(4-methoxyphenyl)-2-(4-methylpentoxy)propyl]azanium Openeye Name: [(1S,2S)-2-isohexyloxy-1-(4-methoxyphenyl)propyl]ammonium CAS Name: [(1S,2S)-1-(4-methoxyphenyl)-2-(4-methylpentoxy)propyl]ammonium IUPAC Name: [(1S,2S)-1-(4-methoxyphenyl)-2-(4-methylpentoxy)propyl]azanium Traditional Name: [(1S,2S)-2-isohexyloxy-1-(4-methoxyphenyl)propyl]ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2/c1-12(2)6-5-11-19-13(3)16(17)14-7-9-15(18-4)10-8-14/h7-10,12-13,16H,5-6,11,17H2,1-4H3/p+1/t13-,16+/m0/s1