[1-(2-acetamido-5-nitro-phenoxy)-3-ethyl-pentan-3-yl]azanium; methyl sulfate

Systemtic Name: [1-(2-acetamido-5-nitro-phenoxy)-3-ethyl-pentan-3-yl]azanium; methyl sulfate Openeye Name: [3-(2-acetamido-5-nitro-phenoxy)-1,1-diethyl-propyl]ammonium; methyl sulfate CAS Name: [1-(2-acetamido-5-nitrophenoxy)-3-ethylpentan-3-yl]ammonium; methyl sulfate IUPAC Name: [1-(2-acetamido-5-nitrophenoxy)-3-ethylpentan-3-yl]azanium; methyl sulfate Traditional Name: [3-(2-acetamido-5-nitro-phenoxy)-1,1-diethyl-propyl]ammonium; methyl sulfate Formula: C16H27N3O8S MolecularWeight: 421.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCOC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C)[NH3+].COS(=O)(=O)[O-]

Isomeric SMILES

CCC(CC)(CCOC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C)[NH3+].COS(=O)(=O)[O-]

InChI

InChI=1S/C15H23N3O4.CH4O4S/c1-4-15(16,5-2)8-9-22-14-10-12(18(20)21)6-7-13(14)17-11(3)19;1-5-6(2,3)4/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,19);1H3,(H,2,3,4)