[(1S)-2-ethyl-1-(2-methyl-5-nitro-phenyl)butyl]azanium

Systemtic Name: [(1S)-2-ethyl-1-(2-methyl-5-nitro-phenyl)butyl]azanium Openeye Name: [(1S)-2-ethyl-1-(2-methyl-5-nitro-phenyl)butyl]ammonium CAS Name: [(1S)-2-ethyl-1-(2-methyl-5-nitrophenyl)butyl]ammonium IUPAC Name: [(1S)-2-ethyl-1-(2-methyl-5-nitrophenyl)butyl]azanium Traditional Name: [(1S)-2-ethyl-1-(2-methyl-5-nitro-phenyl)butyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1=C(C=CC(=C1)[N+](=O)[O-])C)[NH3+]

Isomeric SMILES

CCC(CC)[C@@H](C1=C(C=CC(=C1)[N+](=O)[O-])C)[NH3+]

InChI

InChI=1S/C13H20N2O2/c1-4-10(5-2)13(14)12-8-11(15(16)17)7-6-9(12)3/h6-8,10,13H,4-5,14H2,1-3H3/p+1/t13-/m0/s1