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

Systemtic Name: 3-[1-(cyclopropylmethyl)pyridin-1-ium-4-yl]-1-(5,6-dimethoxy-1-benzothiophen-2-yl)propan-1-one bromide Openeye Name: 3-[1-(cyclopropylmethyl)pyridin-1-ium-4-yl]-1-(5,6-dimethoxybenzothiophen-2-yl)propan-1-one bromide CAS Name: 3-[1-(cyclopropylmethyl)-4-pyridin-1-iumyl]-1-(5,6-dimethoxy-1-benzothiophen-2-yl)-1-propanone bromide IUPAC Name: 3-[1-(cyclopropylmethyl)pyridin-1-ium-4-yl]-1-(5,6-dimethoxy-1-benzothiophen-2-yl)propan-1-one bromide Traditional Name: 3-[1-(cyclopropylmethyl)pyridin-1-ium-4-yl]-1-(5,6-dimethoxybenzothiophen-2-yl)propan-1-one bromide Formula: C22H24BrNO3S MolecularWeight: 462.39986

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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)CC4CC4)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC3=CC=[N+](C=C3)CC4CC4)OC.[Br-]

InChI

InChI=1S/C22H24NO3S.BrH/c1-25-19-11-17-12-22(27-21(17)13-20(19)26-2)18(24)6-5-15-7-9-23(10-8-15)14-16-3-4-16;/h7-13,16H,3-6,14H2,1-2H3;1H/q+1;/p-1