[(1S)-2-azaniumyl-1-(3-nitrophenyl)ethyl]-bis(2-methylpropyl)azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-nitrophenyl)ethyl]-bis(2-methylpropyl)azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-nitrophenyl)ethyl]-diisobutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-nitrophenyl)ethyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-nitrophenyl)ethyl]-bis(2-methylpropyl)azanium Traditional Name: [(1S)-2-ammonio-1-(3-nitrophenyl)ethyl]-diisobutyl-ammonium Formula: C16H29N3O2+2 MolecularWeight: 295.42036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O2/c1-12(2)10-18(11-13(3)4)16(9-17)14-6-5-7-15(8-14)19(20)21/h5-8,12-13,16H,9-11,17H2,1-4H3/p+2/t16-/m1/s1