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

Systemtic Name: [(2S)-3-methylbutan-2-yl]-[(3-nitrophenyl)methyl]azanium Openeye Name: [(1S)-1,2-dimethylpropyl]-[(3-nitrophenyl)methyl]ammonium CAS Name: [(2S)-3-methylbutan-2-yl]-[(3-nitrophenyl)methyl]ammonium IUPAC Name: [(2S)-3-methylbutan-2-yl]-[(3-nitrophenyl)methyl]azanium Traditional Name: [(1S)-1,2-dimethylpropyl]-(3-nitrobenzyl)ammonium Formula: C12H19N2O2+ MolecularWeight: 223.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2/c1-9(2)10(3)13-8-11-5-4-6-12(7-11)14(15)16/h4-7,9-10,13H,8H2,1-3H3/p+1/t10-/m0/s1