(E)-but-2-enedioic acid; 4-(3-chlorophenyl)-N-(2-dimethylaminoethyl)piperazine-1-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 4-(3-chlorophenyl)-N-(2-dimethylaminoethyl)piperazine-1-carboxamide Openeye Name: 4-(3-chlorophenyl)-N-(2-dimethylaminoethyl)piperazine-1-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(3-chlorophenyl)-N-(2-dimethylaminoethyl)-1-piperazinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 4-(3-chlorophenyl)-N-(2-dimethylaminoethyl)piperazine-1-carboxamide Traditional Name: 4-(3-chlorophenyl)-N-(2-dimethylaminoethyl)piperazine-1-carboxamide; fumaric acid Formula: C19H27ClN4O5 MolecularWeight: 426.89448

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCNC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H23ClN4O.C4H4O4/c1-18(2)7-6-17-15(21)20-10-8-19(9-11-20)14-5-3-4-13(16)12-14;5-3(6)1-2-4(7)8/h3-5,12H,6-11H2,1-2H3,(H,17,21);1-2H,(H,5,6)(H,7,8)/b;2-1+