dicalcium 2-acetyloxyethyl(trimethyl)azanium tribromide trichloride tetrahydrate

Systemtic Name: dicalcium 2-acetyloxyethyl(trimethyl)azanium tribromide trichloride tetrahydrate Openeye Name: dicalcium 2-acetoxyethyl(trimethyl)ammonium tribromide trichloride tetrahydrate CAS Name: dicalcium 2-acetyloxyethyl(trimethyl)ammonium tribromide trichloride tetrahydrate IUPAC Name: dicalcium 2-acetyloxyethyl(trimethyl)azanium tribromide trichloride tetrahydrate Traditional Name: dicalcium 2-acetoxyethyl(trimethyl)ammonium tribromide trichloride tetrahydrate Formula: C14H40Br3Ca2Cl3N2O8 MolecularWeight: 790.703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC[N+](C)(C)C.CC(=O)OCC[N+](C)(C)C.O.O.O.O.[Cl-].[Cl-].[Cl-].[Ca+2].[Ca+2].[Br-].[Br-].[Br-]

Isomeric SMILES

CC(=O)OCC[N+](C)(C)C.CC(=O)OCC[N+](C)(C)C.O.O.O.O.[Cl-].[Cl-].[Cl-].[Ca+2].[Ca+2].[Br-].[Br-].[Br-]

InChI

InChI=1S/2C7H16NO2.3BrH.2Ca.3ClH.4H2O/c2*1-7(9)10-6-5-8(2,3)4;;;;;;;;;;;;/h2*5-6H2,1-4H3;3*1H;;;3*1H;4*1H2/q2*+1;;;;2*+2;;;;;;;/p-6