[(1S)-2-azaniumyl-1-(3-bromanyl-4-methoxy-phenyl)ethyl]-tert-butyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-bromanyl-4-methoxy-phenyl)ethyl]-tert-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-bromo-4-methoxy-phenyl)ethyl]-tert-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-bromo-4-methoxyphenyl)ethyl]-tert-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-bromo-4-methoxyphenyl)ethyl]-tert-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(3-bromo-4-methoxy-phenyl)ethyl]-tert-butyl-ethyl-ammonium Formula: C15H27BrN2O+2 MolecularWeight: 331.29168

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C(C[NH3+])C1=CC(=C(C=C1)OC)Br)C(C)(C)C

Isomeric SMILES

CC[NH+]([C@H](C[NH3+])C1=CC(=C(C=C1)OC)Br)C(C)(C)C

InChI

InChI=1S/C15H25BrN2O/c1-6-18(15(2,3)4)13(10-17)11-7-8-14(19-5)12(16)9-11/h7-9,13H,6,10,17H2,1-5H3/p+2/t13-/m1/s1