(Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-yl-prop-2-en-1-amine; ethanedioic acid

Systemtic Name: (Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-yl-prop-2-en-1-amine; ethanedioic acid Openeye Name: (Z)-3-(4-bromophenyl)-N-methyl-3-(3-pyridyl)prop-2-en-1-amine; oxalic acid CAS Name: (Z)-3-(4-bromophenyl)-N-methyl-3-(3-pyridinyl)-2-propen-1-amine; oxalic acid IUPAC Name: (Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine; oxalic acid Traditional Name: [(Z)-3-(4-bromophenyl)-3-(3-pyridyl)allyl]-methyl-amine; oxalic acid Formula: C17H17BrN2O4 MolecularWeight: 393.23188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN2.C2H2O4/c1-17-10-8-15(13-3-2-9-18-11-13)12-4-6-14(16)7-5-12;3-1(4)2(5)6/h2-9,11,17H,10H2,1H3;(H,3,4)(H,5,6)/b15-8-;