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

Systemtic Name: (E)-1-(4-bromophenyl)-3-(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)prop-2-en-1-one chloride Openeye Name: (E)-1-(4-bromophenyl)-3-(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)prop-2-en-1-one chloride CAS Name: (E)-1-(4-bromophenyl)-3-[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]-2-propen-1-one chloride IUPAC Name: (E)-1-(4-bromophenyl)-3-(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)prop-2-en-1-one chloride Traditional Name: (E)-1-(4-bromophenyl)-3-(4-pyrrolidinopyridin-1-ium-1-yl)prop-2-en-1-one chloride Formula: C18H18BrClN2O MolecularWeight: 393.70532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=[N+](C=C2)C=CC(=O)C3=CC=C(C=C3)Br.[Cl-]

Isomeric SMILES

C1CCN(C1)C2=CC=[N+](C=C2)/C=C/C(=O)C3=CC=C(C=C3)Br.[Cl-]

InChI

InChI=1S/C18H18BrN2O.ClH/c19-16-5-3-15(4-6-16)18(22)9-14-20-12-7-17(8-13-20)21-10-1-2-11-21;/h3-9,12-14H,1-2,10-11H2;1H/q+1;/p-1/b14-9+;