calcium 2-(trimethylazaniumyl)ethyl phosphate chloride tetrahydrate

Systemtic Name: calcium 2-(trimethylazaniumyl)ethyl phosphate chloride tetrahydrate Openeye Name: calcium 2-(trimethylammonio)ethyl phosphate chloride tetrahydrate CAS Name: calcium 2-(trimethylammonio)ethyl phosphate chloride tetrahydrate IUPAC Name: calcium 2-(trimethylazaniumyl)ethyl phosphate chloride tetrahydrate Traditional Name: calcium 2-(trimethylammonio)ethyl phosphate chloride tetrahydrate Formula: C5H21CaClNO8P MolecularWeight: 329.726901

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOP(=O)([O-])[O-].O.O.O.O.[Cl-].[Ca+2]

Isomeric SMILES

C[N+](C)(C)CCOP(=O)([O-])[O-].O.O.O.O.[Cl-].[Ca+2]

InChI

InChI=1S/C5H14NO4P.Ca.ClH.4H2O/c1-6(2,3)4-5-10-11(7,8)9;;;;;;/h4-5H2,1-3H3,(H-,7,8,9);;1H;4*1H2/q;+2;;;;;/p-2