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

Systemtic Name: [(1S)-2-azaniumyl-1-(5-chloranyl-2-oxidanyl-phenyl)ethyl]-dibutyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(5-chloro-2-hydroxy-phenyl)ethyl]-dibutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(5-chloro-2-hydroxyphenyl)ethyl]-dibutylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(5-chloro-2-hydroxyphenyl)ethyl]-dibutylazanium Traditional Name: [(1S)-2-ammonio-1-(5-chloro-2-hydroxy-phenyl)ethyl]-dibutyl-ammonium Formula: C16H29ClN2O+2 MolecularWeight: 300.86726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27ClN2O/c1-3-5-9-19(10-6-4-2)15(12-18)14-11-13(17)7-8-16(14)20/h7-8,11,15,20H,3-6,9-10,12,18H2,1-2H3/p+2/t15-/m1/s1