magnesium; 2-azanylbutanedioate; 2-diethylaminoethyl 4-azanylbenzoate; hydron; hydrochloride

Systemtic Name: magnesium; 2-azanylbutanedioate; 2-diethylaminoethyl 4-azanylbenzoate; hydron; hydrochloride Openeye Name: magnesium; 2-aminobutanedioate; 2-diethylaminoethyl 4-aminobenzoate; hydron; hydrochloride CAS Name: magnesium; 4-aminobenzoic acid 2-diethylaminoethyl ester; 2-aminobutanedioate; hydron; hydrochloride IUPAC Name: magnesium; 2-aminobutanedioate; 2-diethylaminoethyl 4-aminobenzoate; hydron; hydrochloride Traditional Name: magnesium; 4-aminobenzoic acid 2-diethylaminoethyl ester; 2-aminosuccinate; hydron; hydrochloride Formula: C21H33ClMgN4O10 MolecularWeight: 561.26552

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.C(C(C(=O)[O-])N)C(=O)[O-].C(C(C(=O)[O-])N)C(=O)[O-].[Mg+2].Cl

Isomeric SMILES

[H+].[H+].CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.C(C(C(=O)[O-])N)C(=O)[O-].C(C(C(=O)[O-])N)C(=O)[O-].[Mg+2].Cl

InChI

InChI=1S/C13H20N2O2.2C4H7NO4.ClH.Mg/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;2*5-2(4(8)9)1-3(6)7;;/h5-8H,3-4,9-10,14H2,1-2H3;2*2H,1,5H2,(H,6,7)(H,8,9);1H;/q;;;;+2/p-2