N-(2-diethylaminoethyl)-4-phenyl-piperazine-1-carboxamide; ethanedioic acid; hydrate

Systemtic Name: N-(2-diethylaminoethyl)-4-phenyl-piperazine-1-carboxamide; ethanedioic acid; hydrate Openeye Name: N-(2-diethylaminoethyl)-4-phenyl-piperazine-1-carboxamide; oxalic acid; hydrate CAS Name: N-(2-diethylaminoethyl)-4-phenyl-1-piperazinecarboxamide; oxalic acid; hydrate IUPAC Name: N-(2-diethylaminoethyl)-4-phenylpiperazine-1-carboxamide; oxalic acid; hydrate Traditional Name: N-(2-diethylaminoethyl)-4-phenyl-piperazine-1-carboxamide; oxalic acid; hydrate Formula: C19H32N4O6 MolecularWeight: 412.48058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)N1CCN(CC1)C2=CC=CC=C2.C(=O)(C(=O)O)O.O

Isomeric SMILES

CCN(CC)CCNC(=O)N1CCN(CC1)C2=CC=CC=C2.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C17H28N4O.C2H2O4.H2O/c1-3-19(4-2)11-10-18-17(22)21-14-12-20(13-15-21)16-8-6-5-7-9-16;3-1(4)2(5)6;/h5-9H,3-4,10-15H2,1-2H3,(H,18,22);(H,3,4)(H,5,6);1H2