(E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-1-ium-3-yl-prop-2-en-1-amine chloride

Systemtic Name: (E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-1-ium-3-yl-prop-2-en-1-amine chloride Openeye Name: (E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-1-ium-3-yl-prop-2-en-1-amine chloride CAS Name: (E)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridin-1-iumyl)-2-propen-1-amine chloride IUPAC Name: (E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-1-ium-3-ylprop-2-en-1-amine chloride Traditional Name: [(E)-3-(4-bromophenyl)-3-pyridin-1-ium-3-yl-allyl]-dimethyl-amine chloride Formula: C16H18BrClN2 MolecularWeight: 353.68452

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC=C(C1=CC=C(C=C1)Br)C2=C[NH+]=CC=C2.[Cl-]

Isomeric SMILES

CN(C)C/C=C(\C1=CC=C(C=C1)Br)/C2=C[NH+]=CC=C2.[Cl-]

InChI

InChI=1S/C16H17BrN2.ClH/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13;/h3-10,12H,11H2,1-2H3;1H/b16-9+;