[(1S)-2-azaniumyl-1-(2,5-dimethoxyphenyl)ethyl]-butyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(2,5-dimethoxyphenyl)ethyl]-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(2,5-dimethoxyphenyl)ethyl]-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2,5-dimethoxyphenyl)ethyl]-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2,5-dimethoxyphenyl)ethyl]-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(2,5-dimethoxyphenyl)ethyl]-butyl-ethyl-ammonium Formula: C16H30N2O2+2 MolecularWeight: 282.4216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)C(C[NH3+])C1=C(C=CC(=C1)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O2/c1-5-7-10-18(6-2)15(12-17)14-11-13(19-3)8-9-16(14)20-4/h8-9,11,15H,5-7,10,12,17H2,1-4H3/p+2/t15-/m1/s1