[(1S)-2-azaniumyl-1-[2,4-bis(oxidanyl)phenyl]ethyl]-dibutyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[2,4-bis(oxidanyl)phenyl]ethyl]-dibutyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(2,4-dihydroxyphenyl)ethyl]-dibutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2,4-dihydroxyphenyl)ethyl]-dibutylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2,4-dihydroxyphenyl)ethyl]-dibutylazanium Traditional Name: [(1S)-2-ammonio-1-(2,4-dihydroxyphenyl)ethyl]-dibutyl-ammonium Formula: C16H30N2O2+2 MolecularWeight: 282.4216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O2/c1-3-5-9-18(10-6-4-2)15(12-17)14-8-7-13(19)11-16(14)20/h7-8,11,15,19-20H,3-6,9-10,12,17H2,1-2H3/p+2/t15-/m1/s1