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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-5-13(2,3)14-9-10-6-7-12(18-4)11(8-10)15(16)17/h6-8,14H,5,9H2,1-4H3/p+1