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

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

Systemtic Name:bis(2-hydroxyethyl)-[(3-nitro-4-pentoxy-phenyl)methyl]azanium
Openeye Name:bis(2-hydroxyethyl)-[(3-nitro-4-pentoxy-phenyl)methyl]ammonium
CAS Name:bis(2-hydroxyethyl)-[(3-nitro-4-pentoxyphenyl)methyl]ammonium
IUPAC Name:bis(2-hydroxyethyl)-[(3-nitro-4-pentoxyphenyl)methyl]azanium
Traditional Name:(4-amoxy-3-nitro-benzyl)-bis(2-hydroxyethyl)ammonium
Formula: C16H27N2O5+
MolecularWeight: 327.39598
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H26N2O5/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/p+1


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