(E)-3-(4-azanylpyridin-1-ium-1-yl)-1-(3-bromophenyl)prop-2-en-1-one chloride

Systemtic Name: (E)-3-(4-azanylpyridin-1-ium-1-yl)-1-(3-bromophenyl)prop-2-en-1-one chloride Openeye Name: (E)-3-(4-aminopyridin-1-ium-1-yl)-1-(3-bromophenyl)prop-2-en-1-one chloride CAS Name: (E)-3-(4-amino-1-pyridin-1-iumyl)-1-(3-bromophenyl)-2-propen-1-one chloride IUPAC Name: (E)-3-(4-aminopyridin-1-ium-1-yl)-1-(3-bromophenyl)prop-2-en-1-one chloride Traditional Name: (E)-3-(4-aminopyridin-1-ium-1-yl)-1-(3-bromophenyl)prop-2-en-1-one chloride Formula: C14H12BrClN2O MolecularWeight: 339.61488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)C=C[N+]2=CC=C(C=C2)N.[Cl-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)/C=C/[N+]2=CC=C(C=C2)N.[Cl-]

InChI

InChI=1S/C14H11BrN2O.ClH/c15-12-3-1-2-11(10-12)14(18)6-9-17-7-4-13(16)5-8-17;/h1-10,16H;1H/b9-6+;