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

Systemtic Name: 3-azanyl-1-butan-2-yl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-amino-2-(2-diethylaminoethyl)-1-sec-butyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid citrate CAS Name: 3-amino-1-butan-2-yl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-amino-1-butan-2-yl-2-(2-diethylaminoethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 3-amino-2-(2-diethylaminoethyl)-1-sec-butyl-cyclohexa-3,5-diene-1,2-dicarboxylic acid citrate Formula: C24H35N2O11-3 MolecularWeight: 527.5415

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(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

CCC(C)C1(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/C18H30N2O4.C6H8O7/c1-5-13(4)17(15(21)22)10-8-9-14(19)18(17,16(23)24)11-12-20(6-2)7-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-10,13H,5-7,11-12,19H2,1-4H3,(H,21,22)(H,23,24);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3