[(2S)-5-methylhexan-2-yl]-[(1R)-1-(3-nitrophenyl)ethyl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[(1R)-1-(3-nitrophenyl)ethyl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(1R)-1-(3-nitrophenyl)ethyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[(1R)-1-(3-nitrophenyl)ethyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[(1R)-1-(3-nitrophenyl)ethyl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[(1R)-1-(3-nitrophenyl)ethyl]ammonium Formula: C15H25N2O2+ MolecularWeight: 265.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]C(C)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](CCC(C)C)[NH2+][C@H](C)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H24N2O2/c1-11(2)8-9-12(3)16-13(4)14-6-5-7-15(10-14)17(18)19/h5-7,10-13,16H,8-9H2,1-4H3/p+1/t12-,13+/m0/s1