(4-ethoxy-3-nitro-phenyl)methyl-bis(2-hydroxyethyl)azanium

Systemtic Name: (4-ethoxy-3-nitro-phenyl)methyl-bis(2-hydroxyethyl)azanium Openeye Name: (4-ethoxy-3-nitro-phenyl)methyl-bis(2-hydroxyethyl)ammonium CAS Name: (4-ethoxy-3-nitrophenyl)methyl-bis(2-hydroxyethyl)ammonium IUPAC Name: (4-ethoxy-3-nitrophenyl)methyl-bis(2-hydroxyethyl)azanium Traditional Name: (4-ethoxy-3-nitro-benzyl)-bis(2-hydroxyethyl)ammonium Formula: C13H21N2O5+ MolecularWeight: 285.31624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](CCO)CCO)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](CCO)CCO)[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O5/c1-2-20-13-4-3-11(9-12(13)15(18)19)10-14(5-7-16)6-8-17/h3-4,9,16-17H,2,5-8,10H2,1H3/p+1