3-azanyl-2-(2-diethylaminoethyl)-1-propan-2-yl-cyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 3-azanyl-2-(2-diethylaminoethyl)-1-propan-2-yl-cyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-amino-2-(2-diethylaminoethyl)-1-isopropyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid citrate CAS Name: 3-amino-2-(2-diethylaminoethyl)-1-propan-2-ylcyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-amino-2-(2-diethylaminoethyl)-1-propan-2-ylcyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 3-amino-2-(2-diethylaminoethyl)-1-isopropyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid citrate Formula: C23H33N2O11-3 MolecularWeight: 513.51492

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1(C(=CC=CC1(C(C)C)C(=O)O)N)C(=O)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCC1(C(=CC=CC1(C(C)C)C(=O)O)N)C(=O)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C17H28N2O4.C6H8O7/c1-5-19(6-2)11-10-17(15(22)23)13(18)8-7-9-16(17,12(3)4)14(20)21;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-9,12H,5-6,10-11,18H2,1-4H3,(H,20,21)(H,22,23);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3