bis(2-hydroxyethyl)-[(3-nitro-4-pentoxy-phenyl)methyl]azanium chloride

Systemtic Name: bis(2-hydroxyethyl)-[(3-nitro-4-pentoxy-phenyl)methyl]azanium chloride Openeye Name: bis(2-hydroxyethyl)-[(3-nitro-4-pentoxy-phenyl)methyl]ammonium chloride CAS Name: bis(2-hydroxyethyl)-[(3-nitro-4-pentoxyphenyl)methyl]ammonium chloride IUPAC Name: bis(2-hydroxyethyl)-[(3-nitro-4-pentoxyphenyl)methyl]azanium chloride Traditional Name: (4-amoxy-3-nitro-benzyl)-bis(2-hydroxyethyl)ammonium chloride Formula: C16H27ClN2O5 MolecularWeight: 362.84898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C[NH+](CCO)CCO)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C[NH+](CCO)CCO)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C16H26N2O5.ClH/c1-2-3-4-11-23-16-6-5-14(12-15(16)18(21)22)13-17(7-9-19)8-10-20;/h5-6,12,19-20H,2-4,7-11,13H2,1H3;1H