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

Systemtic Name: [1-(2-acetamido-5-azanyl-phenoxy)-3-ethyl-pentan-3-yl]azanium; methyl sulfate Openeye Name: [3-(2-acetamido-5-amino-phenoxy)-1,1-diethyl-propyl]ammonium; methyl sulfate CAS Name: [1-(2-acetamido-5-aminophenoxy)-3-ethylpentan-3-yl]ammonium; methyl sulfate IUPAC Name: [1-(2-acetamido-5-aminophenoxy)-3-ethylpentan-3-yl]azanium; methyl sulfate Traditional Name: [3-(2-acetamido-5-amino-phenoxy)-1,1-diethyl-propyl]ammonium; methyl sulfate Formula: C16H29N3O6S MolecularWeight: 391.48296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O2.CH4O4S/c1-4-15(17,5-2)8-9-20-14-10-12(16)6-7-13(14)18-11(3)19;1-5-6(2,3)4/h6-7,10H,4-5,8-9,16-17H2,1-3H3,(H,18,19);1H3,(H,2,3,4)