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

Systemtic Name: 3-azanyl-2-(2-diethylaminoethyl)-1-hexyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-amino-2-(2-diethylaminoethyl)-1-hexyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid citrate CAS Name: 3-amino-2-(2-diethylaminoethyl)-1-hexylcyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-amino-2-(2-diethylaminoethyl)-1-hexylcyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 3-amino-2-(2-diethylaminoethyl)-1-hexyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid citrate Formula: C26H39N2O11-3 MolecularWeight: 555.59466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C=CC=C(C1(CCN(CC)CC)C(=O)O)N)C(=O)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCCCC1(C=CC=C(C1(CCN(CC)CC)C(=O)O)N)C(=O)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C20H34N2O4.C6H8O7/c1-4-7-8-9-12-19(17(23)24)13-10-11-16(21)20(19,18(25)26)14-15-22(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h10-11,13H,4-9,12,14-15,21H2,1-3H3,(H,23,24)(H,25,26);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3