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

Systemtic Name: (4-butoxy-3-nitro-phenyl)methyl-bis(2-hydroxyethyl)azanium Openeye Name: (4-butoxy-3-nitro-phenyl)methyl-bis(2-hydroxyethyl)ammonium CAS Name: (4-butoxy-3-nitrophenyl)methyl-bis(2-hydroxyethyl)ammonium IUPAC Name: (4-butoxy-3-nitrophenyl)methyl-bis(2-hydroxyethyl)azanium Traditional Name: (4-butoxy-3-nitro-benzyl)-bis(2-hydroxyethyl)ammonium Formula: C15H25N2O5+ MolecularWeight: 313.3694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C[NH+](CCO)CCO)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C[NH+](CCO)CCO)[N+](=O)[O-]

InChI

InChI=1S/C15H24N2O5/c1-2-3-10-22-15-5-4-13(11-14(15)17(20)21)12-16(6-8-18)7-9-19/h4-5,11,18-19H,2-3,6-10,12H2,1H3/p+1