[(2S)-2-ethylhexyl]-[(3-nitrophenyl)methyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(3-nitrophenyl)methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(3-nitrophenyl)methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(3-nitrophenyl)methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(3-nitrophenyl)methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-(3-nitrobenzyl)ammonium Formula: C15H25N2O2+ MolecularWeight: 265.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H24N2O2/c1-3-5-7-13(4-2)11-16-12-14-8-6-9-15(10-14)17(18)19/h6,8-10,13,16H,3-5,7,11-12H2,1-2H3/p+1/t13-/m0/s1