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

Systemtic Name: bis(2-hydroxyethyl)-methyl-[(3-methyl-2-nitro-phenyl)methyl]azanium chloride Openeye Name: bis(2-hydroxyethyl)-methyl-[(3-methyl-2-nitro-phenyl)methyl]ammonium chloride CAS Name: bis(2-hydroxyethyl)-methyl-[(3-methyl-2-nitrophenyl)methyl]ammonium chloride IUPAC Name: bis(2-hydroxyethyl)-methyl-[(3-methyl-2-nitrophenyl)methyl]azanium chloride Traditional Name: bis(2-hydroxyethyl)-methyl-(3-methyl-2-nitro-benzyl)ammonium chloride Formula: C13H21ClN2O4 MolecularWeight: 304.76984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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