2-(diethylamino)-2-(2-methyl-1,3-benzodioxol-2-yl)butanoate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-(diethylamino)-2-(2-methyl-1,3-benzodioxol-2-yl)butanoate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-(diethylamino)-2-(2-methyl-1,3-benzodioxol-2-yl)butanoate citrate CAS Name: 2-(diethylamino)-2-(2-methyl-1,3-benzodioxol-2-yl)butanoate; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-(diethylamino)-2-(2-methyl-1,3-benzodioxol-2-yl)butanoate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-(diethylamino)-2-(2-methyl-1,3-benzodioxol-2-yl)butyrate citrate Formula: C22H27NO11-4 MolecularWeight: 481.44988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])(C1(OC2=CC=CC=C2O1)C)N(CC)CC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCC(C(=O)[O-])(C1(OC2=CC=CC=C2O1)C)N(CC)CC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C16H23NO4.C6H8O7/c1-5-16(14(18)19,17(6-2)7-3)15(4)20-12-10-8-9-11-13(12)21-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-11H,5-7H2,1-4H3,(H,18,19);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-4