[(2S)-6-methylheptan-2-yl]-[(1R)-1-(3-nitrophenyl)ethyl]azanium

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[(1R)-1-(3-nitrophenyl)ethyl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[(1R)-1-(3-nitrophenyl)ethyl]ammonium CAS Name: [(2S)-6-methylheptan-2-yl]-[(1R)-1-(3-nitrophenyl)ethyl]ammonium IUPAC Name: [(2S)-6-methylheptan-2-yl]-[(1R)-1-(3-nitrophenyl)ethyl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-[(1R)-1-(3-nitrophenyl)ethyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

Click to see the large picture

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)7-5-8-13(3)17-14(4)15-9-6-10-16(11-15)18(19)20/h6,9-14,17H,5,7-8H2,1-4H3/p+1/t13-,14+/m0/s1