[(1S)-1-(3,4-dimethyl-5-nitro-phenyl)hexyl]azanium

Systemtic Name: [(1S)-1-(3,4-dimethyl-5-nitro-phenyl)hexyl]azanium Openeye Name: [(1S)-1-(3,4-dimethyl-5-nitro-phenyl)hexyl]ammonium CAS Name: [(1S)-1-(3,4-dimethyl-5-nitrophenyl)hexyl]ammonium IUPAC Name: [(1S)-1-(3,4-dimethyl-5-nitrophenyl)hexyl]azanium Traditional Name: [(1S)-1-(3,4-dimethyl-5-nitro-phenyl)hexyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2/c1-4-5-6-7-13(15)12-8-10(2)11(3)14(9-12)16(17)18/h8-9,13H,4-7,15H2,1-3H3/p+1/t13-/m0/s1