[(2S)-2-ethylhexyl]-[(1R)-1-(2-nitrophenyl)ethyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-nitrophenyl)ethyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-nitrophenyl)ethyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-nitrophenyl)ethyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-nitrophenyl)ethyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[(1R)-1-(2-nitrophenyl)ethyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-4-6-9-14(5-2)12-17-13(3)15-10-7-8-11-16(15)18(19)20/h7-8,10-11,13-14,17H,4-6,9,12H2,1-3H3/p+1/t13-,14+/m1/s1