(4-methoxy-3-nitro-phenyl)methyl-[(2R)-3-methylbutan-2-yl]azanium

Systemtic Name: (4-methoxy-3-nitro-phenyl)methyl-[(2R)-3-methylbutan-2-yl]azanium Openeye Name: [(1R)-1,2-dimethylpropyl]-[(4-methoxy-3-nitro-phenyl)methyl]ammonium CAS Name: (4-methoxy-3-nitrophenyl)methyl-[(2R)-3-methylbutan-2-yl]ammonium IUPAC Name: (4-methoxy-3-nitrophenyl)methyl-[(2R)-3-methylbutan-2-yl]azanium Traditional Name: [(1R)-1,2-dimethylpropyl]-(4-methoxy-3-nitro-benzyl)ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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