(E)-1-(4-bromophenyl)-3-[(3-methylpyridin-1-ium-2-yl)amino]but-2-en-1-one

Systemtic Name: (E)-1-(4-bromophenyl)-3-[(3-methylpyridin-1-ium-2-yl)amino]but-2-en-1-one Openeye Name: (E)-1-(4-bromophenyl)-3-[(3-methylpyridin-1-ium-2-yl)amino]but-2-en-1-one CAS Name: (E)-1-(4-bromophenyl)-3-[(3-methyl-2-pyridin-1-iumyl)amino]-2-buten-1-one IUPAC Name: (E)-1-(4-bromophenyl)-3-[(3-methylpyridin-1-ium-2-yl)amino]but-2-en-1-one Traditional Name: (E)-1-(4-bromophenyl)-3-[(3-methylpyridin-1-ium-2-yl)amino]but-2-en-1-one Formula: C16H16BrN2O+ MolecularWeight: 332.21504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CC=C1)NC(=CC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=C([NH+]=CC=C1)N/C(=C/C(=O)C2=CC=C(C=C2)Br)/C

InChI

InChI=1S/C16H15BrN2O/c1-11-4-3-9-18-16(11)19-12(2)10-15(20)13-5-7-14(17)8-6-13/h3-10H,1-2H3,(H,18,19)/p+1/b12-10+