(E)-3-(1-decylpyridin-1-ium-3-yl)-1-(3-methylthiophen-2-yl)prop-2-en-1-one bromide

Systemtic Name: (E)-3-(1-decylpyridin-1-ium-3-yl)-1-(3-methylthiophen-2-yl)prop-2-en-1-one bromide Openeye Name: (E)-3-(1-decylpyridin-1-ium-3-yl)-1-(3-methyl-2-thienyl)prop-2-en-1-one bromide CAS Name: (E)-3-(1-decyl-3-pyridin-1-iumyl)-1-(3-methyl-2-thiophenyl)-2-propen-1-one bromide IUPAC Name: (E)-3-(1-decylpyridin-1-ium-3-yl)-1-(3-methylthiophen-2-yl)prop-2-en-1-one bromide Traditional Name: (E)-3-(1-decylpyridin-1-ium-3-yl)-1-(3-methyl-2-thienyl)prop-2-en-1-one bromide Formula: C23H32BrNOS MolecularWeight: 450.47528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=CC=CC(=C1)C=CC(=O)C2=C(C=CS2)C.[Br-]

Isomeric SMILES

CCCCCCCCCC[N+]1=CC=CC(=C1)/C=C/C(=O)C2=C(C=CS2)C.[Br-]

InChI

InChI=1S/C23H32NOS.BrH/c1-3-4-5-6-7-8-9-10-16-24-17-11-12-21(19-24)13-14-22(25)23-20(2)15-18-26-23;/h11-15,17-19H,3-10,16H2,1-2H3;1H/q+1;/p-1/b14-13+;