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

Systemtic Name: (E)-but-2-enedioic acid; 3-(4-chloranylpyridin-2-yl)-N,N-dimethyl-3-phenyl-propan-1-amine Openeye Name: 3-(4-chloro-2-pyridyl)-N,N-dimethyl-3-phenyl-propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(4-chloro-2-pyridinyl)-N,N-dimethyl-3-phenyl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(4-chloropyridin-2-yl)-N,N-dimethyl-3-phenylpropan-1-amine Traditional Name: [3-(4-chloro-2-pyridyl)-3-phenyl-propyl]-dimethyl-amine; fumaric acid Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC=CC=C1)C2=NC=CC(=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCC(C1=CC=CC=C1)C2=NC=CC(=C2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)11-9-15(13-6-4-3-5-7-13)16-12-14(17)8-10-18-16;5-3(6)1-2-4(7)8/h3-8,10,12,15H,9,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+