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

Systemtic Name: [(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [(1R)-1-(hydroxymethyl)propyl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: [(2R)-1-hydroxybutan-2-yl]-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]ammonium IUPAC Name: [(2R)-1-hydroxybutan-2-yl]-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: [(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-[(1R)-1-methylolpropyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-4-12(8-16)14-10(3)11-6-5-9(2)13(7-11)15(17)18/h5-7,10,12,14,16H,4,8H2,1-3H3/p+1/t10-,12-/m1/s1