[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-(2-methylpropyl)azanium

Systemtic Name: [(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-(2-methylpropyl)azanium Openeye Name: isobutyl-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: [(1R)-1-(4-methyl-3-nitrophenyl)ethyl]-(2-methylpropyl)ammonium IUPAC Name: [(1R)-1-(4-methyl-3-nitrophenyl)ethyl]-(2-methylpropyl)azanium Traditional Name: isobutyl-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-9(2)8-14-11(4)12-6-5-10(3)13(7-12)15(16)17/h5-7,9,11,14H,8H2,1-4H3/p+1/t11-/m1/s1