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

Systemtic Name: [(1S)-2-azaniumyl-1-(4-chloranyl-3-nitro-phenyl)ethyl]-tert-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-chloro-3-nitro-phenyl)ethyl]-tert-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-chloro-3-nitrophenyl)ethyl]-tert-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-chloro-3-nitrophenyl)ethyl]-tert-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(4-chloro-3-nitro-phenyl)ethyl]-tert-butyl-ethyl-ammonium Formula: C14H24ClN3O2+2 MolecularWeight: 301.81226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22ClN3O2/c1-5-17(14(2,3)4)13(9-16)10-6-7-11(15)12(8-10)18(19)20/h6-8,13H,5,9,16H2,1-4H3/p+2/t13-/m1/s1