[(1S)-2-azaniumyl-1-(5-chloranyl-2-ethoxy-phenyl)ethyl]-dibutyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(5-chloranyl-2-ethoxy-phenyl)ethyl]-dibutyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(5-chloro-2-ethoxy-phenyl)ethyl]-dibutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(5-chloro-2-ethoxyphenyl)ethyl]-dibutylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(5-chloro-2-ethoxyphenyl)ethyl]-dibutylazanium Traditional Name: [(1S)-2-ammonio-1-(5-chloro-2-ethoxy-phenyl)ethyl]-dibutyl-ammonium Formula: C18H33ClN2O+2 MolecularWeight: 328.92042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31ClN2O/c1-4-7-11-21(12-8-5-2)17(14-20)16-13-15(19)9-10-18(16)22-6-3/h9-10,13,17H,4-8,11-12,14,20H2,1-3H3/p+2/t17-/m1/s1