[(2S)-2-ethylhexyl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-5-7-8-15(6-2)12-18-14(4)16-10-9-13(3)17(11-16)19(20)21/h9-11,14-15,18H,5-8,12H2,1-4H3/p+1/t14-,15+/m1/s1