(E)-4-(4-bromophenyl)-N,N-dimethyl-4-pyridin-3-yl-but-3-en-1-amine; ethanedioic acid

Systemtic Name: (E)-4-(4-bromophenyl)-N,N-dimethyl-4-pyridin-3-yl-but-3-en-1-amine; ethanedioic acid Openeye Name: (E)-4-(4-bromophenyl)-N,N-dimethyl-4-(3-pyridyl)but-3-en-1-amine; oxalic acid CAS Name: (E)-4-(4-bromophenyl)-N,N-dimethyl-4-(3-pyridinyl)-3-buten-1-amine; oxalic acid IUPAC Name: (E)-4-(4-bromophenyl)-N,N-dimethyl-4-pyridin-3-ylbut-3-en-1-amine; oxalic acid Traditional Name: [(E)-4-(4-bromophenyl)-4-(3-pyridyl)but-3-enyl]-dimethyl-amine; oxalic acid Formula: C19H21BrN2O4 MolecularWeight: 421.28504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2.C2H2O4/c1-20(2)12-4-6-17(15-5-3-11-19-13-15)14-7-9-16(18)10-8-14;3-1(4)2(5)6/h3,5-11,13H,4,12H2,1-2H3;(H,3,4)(H,5,6)/b17-6+;