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

Systemtic Name: bis(2-hydroxyethyl)-methyl-[(4-methyl-2-nitro-phenyl)methyl]azanium chloride Openeye Name: bis(2-hydroxyethyl)-methyl-[(4-methyl-2-nitro-phenyl)methyl]ammonium chloride CAS Name: bis(2-hydroxyethyl)-methyl-[(4-methyl-2-nitrophenyl)methyl]ammonium chloride IUPAC Name: bis(2-hydroxyethyl)-methyl-[(4-methyl-2-nitrophenyl)methyl]azanium chloride Traditional Name: bis(2-hydroxyethyl)-methyl-(4-methyl-2-nitro-benzyl)ammonium chloride Formula: C13H21ClN2O4 MolecularWeight: 304.76984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[N+](C)(CCO)CCO)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)C[N+](C)(CCO)CCO)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C13H21N2O4.ClH/c1-11-3-4-12(13(9-11)14(18)19)10-15(2,5-7-16)6-8-17;/h3-4,9,16-17H,5-8,10H2,1-2H3;1H/q+1;/p-1