[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: [(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: (2-hydroxy-1,1-dimethyl-ethyl)-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: (1-hydroxy-2-methylpropan-2-yl)-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]ammonium IUPAC Name: (1-hydroxy-2-methylpropan-2-yl)-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: (2-hydroxy-1,1-dimethyl-ethyl)-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-9-5-6-11(7-12(9)15(17)18)10(2)14-13(3,4)8-16/h5-7,10,14,16H,8H2,1-4H3/p+1/t10-/m0/s1