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

Systemtic Name: 3-azanyl-2-(2-diethylaminoethyl)-1-pentyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-amino-2-(2-diethylaminoethyl)-1-pentyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid citrate CAS Name: 3-amino-2-(2-diethylaminoethyl)-1-pentylcyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-amino-2-(2-diethylaminoethyl)-1-pentylcyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 3-amino-1-amyl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid citrate Formula: C25H37N2O11-3 MolecularWeight: 541.56808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(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

CCCCCC1(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/C19H32N2O4.C6H8O7/c1-4-7-8-11-18(16(22)23)12-9-10-15(20)19(18,17(24)25)13-14-21(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-10,12H,4-8,11,13-14,20H2,1-3H3,(H,22,23)(H,24,25);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3