4-(2-cyanoethyl)-N,N-diethyl-piperazine-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 4-(2-cyanoethyl)-N,N-diethyl-piperazine-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 4-(2-cyanoethyl)-N,N-diethyl-piperazine-1-carboxamide CAS Name: 4-(2-cyanoethyl)-N,N-diethyl-1-piperazinecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 4-(2-cyanoethyl)-N,N-diethylpiperazine-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 4-(2-cyanoethyl)-N,N-diethyl-piperazine-1-carboxamide Formula: C18H30N4O8 MolecularWeight: 430.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(CC1)CCC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)C(=O)N1CCN(CC1)CCC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C12H22N4O.C6H8O7/c1-3-15(4-2)12(17)16-10-8-14(9-11-16)7-5-6-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,7-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)