ethanedioic acid; (Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-yl-prop-2-en-1-amine

Systemtic Name: ethanedioic acid; (Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-yl-prop-2-en-1-amine Openeye Name: (Z)-3-(4-iodophenyl)-N,N-dimethyl-3-(3-pyridyl)prop-2-en-1-amine; oxalic acid CAS Name: (Z)-3-(4-iodophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine; oxalic acid IUPAC Name: (Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine; oxalic acid Traditional Name: [(Z)-3-(4-iodophenyl)-3-(3-pyridyl)allyl]-dimethyl-amine; oxalic acid Formula: C18H19IN2O4 MolecularWeight: 454.25893

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC=C(C1=CC=C(C=C1)I)C2=CN=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H17IN2.C2H2O4/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13;3-1(4)2(5)6/h3-10,12H,11H2,1-2H3;(H,3,4)(H,5,6)/b16-9-;