2-[4-(2-diethylaminoethyl)-2-methyl-1,3-benzodioxol-2-yl]ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-[4-(2-diethylaminoethyl)-2-methyl-1,3-benzodioxol-2-yl]ethanoate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-[4-(2-diethylaminoethyl)-2-methyl-1,3-benzodioxol-2-yl]acetate citrate CAS Name: 2-[4-(2-diethylaminoethyl)-2-methyl-1,3-benzodioxol-2-yl]acetate; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-[4-(2-diethylaminoethyl)-2-methyl-1,3-benzodioxol-2-yl]acetate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-[4-(2-diethylaminoethyl)-2-methyl-1,3-benzodioxol-2-yl]acetate citrate Formula: C22H27NO11-4 MolecularWeight: 481.44988

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C2C(=CC=C1)OC(O2)(C)CC(=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCC1=C2C(=CC=C1)OC(O2)(C)CC(=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C16H23NO4.C6H8O7/c1-4-17(5-2)10-9-12-7-6-8-13-15(12)21-16(3,20-13)11-14(18)19;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-8H,4-5,9-11H2,1-3H3,(H,18,19);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-4