4-(5,6-dimethyl-1-benzofuran-2-yl)-1-prop-2-ynyl-pyridin-1-ium bromide

Systemtic Name: 4-(5,6-dimethyl-1-benzofuran-2-yl)-1-prop-2-ynyl-pyridin-1-ium bromide Openeye Name: 4-(5,6-dimethylbenzofuran-2-yl)-1-prop-2-ynyl-pyridin-1-ium bromide CAS Name: 4-(5,6-dimethyl-2-benzofuranyl)-1-prop-2-ynylpyridin-1-ium bromide IUPAC Name: 4-(5,6-dimethyl-1-benzofuran-2-yl)-1-prop-2-ynylpyridin-1-ium bromide Traditional Name: 4-(5,6-dimethylbenzofuran-2-yl)-1-propargyl-pyridin-1-ium bromide Formula: C18H16BrNO MolecularWeight: 342.22974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(O2)C3=CC=[N+](C=C3)CC#C)C.[Br-]

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(O2)C3=CC=[N+](C=C3)CC#C)C.[Br-]

InChI

InChI=1S/C18H16NO.BrH/c1-4-7-19-8-5-15(6-9-19)18-12-16-10-13(2)14(3)11-17(16)20-18;/h1,5-6,8-12H,7H2,2-3H3;1H/q+1;/p-1