[(1S)-2-azaniumyl-1-(3-ethoxy-4-oxidanyl-phenyl)ethyl]-dibutyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-ethoxy-4-oxidanyl-phenyl)ethyl]-dibutyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-ethoxy-4-hydroxy-phenyl)ethyl]-dibutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-ethoxy-4-hydroxyphenyl)ethyl]-dibutylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-ethoxy-4-hydroxyphenyl)ethyl]-dibutylazanium Traditional Name: [(1S)-2-ammonio-1-(3-ethoxy-4-hydroxy-phenyl)ethyl]-dibutyl-ammonium Formula: C18H34N2O2+2 MolecularWeight: 310.47476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2O2/c1-4-7-11-20(12-8-5-2)16(14-19)15-9-10-17(21)18(13-15)22-6-3/h9-10,13,16,21H,4-8,11-12,14,19H2,1-3H3/p+2/t16-/m1/s1