calcium [(2S)-2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: calcium [(2S)-2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: calcium [(2S)-2,4-dihydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: calcium [(2S)-2,4-dihydroxy-4-oxobutyl]-trimethylammonium IUPAC Name: calcium [(2S)-2,4-dihydroxy-4-oxobutyl]-trimethylazanium Traditional Name: calcium [(2S)-2,4-dihydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C7H16CaNO3+3 MolecularWeight: 202.28484

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)O.[Ca+2]

Isomeric SMILES

C[N+](C)(C)C[C@H](CC(=O)O)O.[Ca+2]

InChI

InChI=1S/C7H15NO3.Ca/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;/q;+2/p+1/t6-;/m0./s1