butanedioate; 2-hydroxyethyl-dimethyl-[(4-nitrophenyl)methyl]azanium; dibromide

Systemtic Name: butanedioate; 2-hydroxyethyl-dimethyl-[(4-nitrophenyl)methyl]azanium; dibromide Openeye Name: butanedioate; 2-hydroxyethyl-dimethyl-[(4-nitrophenyl)methyl]ammonium; dibromide CAS Name: butanedioate; 2-hydroxyethyl-dimethyl-[(4-nitrophenyl)methyl]ammonium; dibromide IUPAC Name: butanedioate; 2-hydroxyethyl-dimethyl-[(4-nitrophenyl)methyl]azanium; dibromide Traditional Name: 2-hydroxyethyl-dimethyl-(4-nitrobenzyl)ammonium; succinate; dibromide Formula: C15H21Br2N2O7-3 MolecularWeight: 501.14444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N2O3.C4H6O4.2BrH/c1-13(2,7-8-14)9-10-3-5-11(6-4-10)12(15)16;5-3(6)1-2-4(7)8;;/h3-6,14H,7-9H2,1-2H3;1-2H2,(H,5,6)(H,7,8);2*1H/q+1;;;/p-4