3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-yl-propan-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-yl-propan-1-amine; (E)-but-2-enedioic acid Openeye Name: 3-(4-bromophenyl)-N,N-dimethyl-3-(2-pyridyl)propan-1-amine; fumaric acid CAS Name: 3-(4-bromophenyl)-N,N-dimethyl-3-(2-pyridinyl)-1-propanamine; (E)-2-butenedioic acid IUPAC Name: 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine; (E)-but-2-enedioic acid Traditional Name: [3-(4-bromophenyl)-3-(2-pyridyl)propyl]-dimethyl-amine; fumaric acid Formula: C20H23BrN2O4 MolecularWeight: 435.31162

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H19BrN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+