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

Systemtic Name: (Z)-3-(3-bromophenyl)-N-methyl-3-pyridin-3-yl-prop-2-en-1-amine; ethanedioic acid Openeye Name: (Z)-3-(3-bromophenyl)-N-methyl-3-(3-pyridyl)prop-2-en-1-amine; oxalic acid CAS Name: (Z)-3-(3-bromophenyl)-N-methyl-3-(3-pyridinyl)-2-propen-1-amine; oxalic acid IUPAC Name: (Z)-3-(3-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine; oxalic acid Traditional Name: [(Z)-3-(3-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(=CC=C1)Br)C2=CN=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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