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

Systemtic Name: (E)-1-(3-bromophenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(3-bromophenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]prop-2-en-1-one CAS Name: (E)-1-(3-bromophenyl)-3-[4-(dimethylamino)-1-pyridin-1-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(3-bromophenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-1-(3-bromophenyl)-3-[4-(dimethylamino)pyridin-1-ium-1-yl]prop-2-en-1-one Formula: C16H16BrN2O+ MolecularWeight: 332.21504

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C=CC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)/C=C/C(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H16BrN2O/c1-18(2)15-6-9-19(10-7-15)11-8-16(20)13-4-3-5-14(17)12-13/h3-12H,1-2H3/q+1/b11-8+