5-chloranyl-N-(2-diethylaminoethyl)-2-(methylamino)benzamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 5-chloranyl-N-(2-diethylaminoethyl)-2-(methylamino)benzamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 5-chloro-N-(2-diethylaminoethyl)-2-(methylamino)benzamide; citric acid CAS Name: 5-chloro-N-(2-diethylaminoethyl)-2-(methylamino)benzamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 5-chloro-N-(2-diethylaminoethyl)-2-(methylamino)benzamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 5-chloro-N-(2-diethylaminoethyl)-2-(methylamino)benzamide; citric acid Formula: C20H30ClN3O8 MolecularWeight: 475.9205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)Cl)NC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)Cl)NC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H22ClN3O.C6H8O7/c1-4-18(5-2)9-8-17-14(19)12-10-11(15)6-7-13(12)16-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,17,19);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)