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

Systemtic Name: 4-(5,6-dimethyl-1-benzofuran-2-yl)-1-prop-2-ynyl-pyridin-1-ium Openeye Name: 4-(5,6-dimethylbenzofuran-2-yl)-1-prop-2-ynyl-pyridin-1-ium CAS Name: 4-(5,6-dimethyl-2-benzofuranyl)-1-prop-2-ynylpyridin-1-ium IUPAC Name: 4-(5,6-dimethyl-1-benzofuran-2-yl)-1-prop-2-ynylpyridin-1-ium Traditional Name: 4-(5,6-dimethylbenzofuran-2-yl)-1-propargyl-pyridin-1-ium Formula: C18H16NO+ MolecularWeight: 262.32574

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H16NO/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/q+1