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

Systemtic Name: [(1S)-2-azaniumyl-1-(4-chloranyl-3-nitro-phenyl)ethyl]-bis(2-methylpropyl)azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-chloro-3-nitro-phenyl)ethyl]-diisobutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-chloro-3-nitrophenyl)ethyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-chloro-3-nitrophenyl)ethyl]-bis(2-methylpropyl)azanium Traditional Name: [(1S)-2-ammonio-1-(4-chloro-3-nitro-phenyl)ethyl]-diisobutyl-ammonium Formula: C16H28ClN3O2+2 MolecularWeight: 329.86542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClN3O2/c1-11(2)9-19(10-12(3)4)16(8-18)13-5-6-14(17)15(7-13)20(21)22/h5-7,11-12,16H,8-10,18H2,1-4H3/p+2/t16-/m1/s1