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

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-(thiophen-3-ylmethyl)pyridin-1-ium-4-yl]propan-1-one Openeye Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-[1-(3-thienylmethyl)pyridin-1-ium-4-yl]propan-1-one CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-(3-thiophenylmethyl)-4-pyridin-1-iumyl]-1-propanone IUPAC Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-[1-(thiophen-3-ylmethyl)pyridin-1-ium-4-yl]propan-1-one Traditional Name: 1-(5,6-dimethoxybenzothiophen-2-yl)-3-[1-(3-thenyl)pyridin-1-ium-4-yl]propan-1-one Formula: C23H22NO3S2+ MolecularWeight: 424.55568

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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=CSC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC3=CC=[N+](C=C3)CC4=CSC=C4)OC

InChI

InChI=1S/C23H22NO3S2/c1-26-20-11-18-12-23(29-22(18)13-21(20)27-2)19(25)4-3-16-5-8-24(9-6-16)14-17-7-10-28-15-17/h5-13,15H,3-4,14H2,1-2H3/q+1