[(2S)-6-methylheptan-2-yl]-[(1R)-1-(2-nitrophenyl)ethyl]azanium

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[(1R)-1-(2-nitrophenyl)ethyl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[(1R)-1-(2-nitrophenyl)ethyl]ammonium CAS Name: [(2S)-6-methylheptan-2-yl]-[(1R)-1-(2-nitrophenyl)ethyl]ammonium IUPAC Name: [(2S)-6-methylheptan-2-yl]-[(1R)-1-(2-nitrophenyl)ethyl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-[(1R)-1-(2-nitrophenyl)ethyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-12(2)8-7-9-13(3)17-14(4)15-10-5-6-11-16(15)18(19)20/h5-6,10-14,17H,7-9H2,1-4H3/p+1/t13-,14+/m0/s1