[(1S)-3-methyl-1-(2-methyl-5-nitro-phenyl)butyl]azanium

Systemtic Name: [(1S)-3-methyl-1-(2-methyl-5-nitro-phenyl)butyl]azanium Openeye Name: [(1S)-3-methyl-1-(2-methyl-5-nitro-phenyl)butyl]ammonium CAS Name: [(1S)-3-methyl-1-(2-methyl-5-nitrophenyl)butyl]ammonium IUPAC Name: [(1S)-3-methyl-1-(2-methyl-5-nitrophenyl)butyl]azanium Traditional Name: [(1S)-3-methyl-1-(2-methyl-5-nitro-phenyl)butyl]ammonium Formula: C12H19N2O2+ MolecularWeight: 223.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C(CC(C)C)[NH3+]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])[C@H](CC(C)C)[NH3+]

InChI

InChI=1S/C12H18N2O2/c1-8(2)6-12(13)11-7-10(14(15)16)5-4-9(11)3/h4-5,7-8,12H,6,13H2,1-3H3/p+1/t12-/m0/s1