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

Systemtic Name: [(2S)-1-methoxypropan-2-yl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium Openeye Name: [(1S)-2-methoxy-1-methyl-ethyl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: [(2S)-1-methoxypropan-2-yl]-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]ammonium IUPAC Name: [(2S)-1-methoxypropan-2-yl]-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: [(1S)-2-methoxy-1-methyl-ethyl]-[(1R)-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)COC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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