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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27ClN2O/c1-11(2)9-19(10-12(3)4)15(8-18)14-7-13(17)5-6-16(14)20/h5-7,11-12,15,20H,8-10,18H2,1-4H3/p+2/t15-/m1/s1