1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-[(5-nitrofuran-2-yl)methyl]pyridin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-[(5-nitrofuran-2-yl)methyl]pyridin-1-ium-4-yl]propan-1-one Openeye Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-[1-[(5-nitro-2-furyl)methyl]pyridin-1-ium-4-yl]propan-1-one CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-[(5-nitro-2-furanyl)methyl]-4-pyridin-1-iumyl]-1-propanone IUPAC Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-[(5-nitrofuran-2-yl)methyl]pyridin-1-ium-4-yl]propan-1-one Traditional Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-[1-[(5-nitro-2-furyl)methyl]pyridin-1-ium-4-yl]propan-1-one Formula: C23H21N2O6S+ MolecularWeight: 453.48764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC3=CC=[N+](C=C3)CC4=CC=C(O4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC3=CC=[N+](C=C3)CC4=CC=C(O4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H21N2O6S/c1-29-19-11-16-12-22(32-21(16)13-20(19)30-2)18(26)5-3-15-7-9-24(10-8-15)14-17-4-6-23(31-17)25(27)28/h4,6-13H,3,5,14H2,1-2H3/q+1