[(2S)-6-methylheptan-2-yl]-[(3-nitrophenyl)methyl]azanium

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[(3-nitrophenyl)methyl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[(3-nitrophenyl)methyl]ammonium CAS Name: [(2S)-6-methylheptan-2-yl]-[(3-nitrophenyl)methyl]ammonium IUPAC Name: [(2S)-6-methylheptan-2-yl]-[(3-nitrophenyl)methyl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-(3-nitrobenzyl)ammonium Formula: C15H25N2O2+ MolecularWeight: 265.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O2/c1-12(2)6-4-7-13(3)16-11-14-8-5-9-15(10-14)17(18)19/h5,8-10,12-13,16H,4,6-7,11H2,1-3H3/p+1/t13-/m0/s1