(E)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-phenyl-prop-2-en-1-one chloride

Systemtic Name: (E)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-phenyl-prop-2-en-1-one chloride Openeye Name: (E)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-phenyl-prop-2-en-1-one chloride CAS Name: (E)-3-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-phenyl-2-propen-1-one chloride IUPAC Name: (E)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-phenylprop-2-en-1-one chloride Traditional Name: (E)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-phenyl-prop-2-en-1-one chloride Formula: C16H17ClN2O MolecularWeight: 288.77198

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C=CC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)/C=C/C(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H17N2O.ClH/c1-17(2)15-8-11-18(12-9-15)13-10-16(19)14-6-4-3-5-7-14;/h3-13H,1-2H3;1H/q+1;/p-1/b13-10+;