[(1S,2S)-1-(2,3-dimethyl-5-nitro-phenyl)-2-methyl-pentyl]azanium

Systemtic Name: [(1S,2S)-1-(2,3-dimethyl-5-nitro-phenyl)-2-methyl-pentyl]azanium Openeye Name: [(1S,2S)-1-(2,3-dimethyl-5-nitro-phenyl)-2-methyl-pentyl]ammonium CAS Name: [(1S,2S)-1-(2,3-dimethyl-5-nitrophenyl)-2-methylpentyl]ammonium IUPAC Name: [(1S,2S)-1-(2,3-dimethyl-5-nitrophenyl)-2-methylpentyl]azanium Traditional Name: [(1S,2S)-1-(2,3-dimethyl-5-nitro-phenyl)-2-methyl-pentyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2/c1-5-6-9(2)14(15)13-8-12(16(17)18)7-10(3)11(13)4/h7-9,14H,5-6,15H2,1-4H3/p+1/t9-,14-/m0/s1