4-[(5,6-dimethoxy-1-benzothiophen-2-yl)methylidene]-1-methyl-1-(phenylmethyl)piperidin-1-ium bromide

Systemtic Name: 4-[(5,6-dimethoxy-1-benzothiophen-2-yl)methylidene]-1-methyl-1-(phenylmethyl)piperidin-1-ium bromide Openeye Name: 1-benzyl-4-[(5,6-dimethoxybenzothiophen-2-yl)methylene]-1-methyl-piperidin-1-ium bromide CAS Name: 4-[(5,6-dimethoxy-1-benzothiophen-2-yl)methylidene]-1-methyl-1-(phenylmethyl)piperidin-1-ium bromide IUPAC Name: 1-benzyl-4-[(5,6-dimethoxy-1-benzothiophen-2-yl)methylidene]-1-methylpiperidin-1-ium bromide Traditional Name: 1-benzyl-4-[(5,6-dimethoxybenzothiophen-2-yl)methylene]-1-methyl-piperidin-1-ium bromide Formula: C24H28BrNO2S MolecularWeight: 474.45362

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(=CC2=CC3=CC(=C(C=C3S2)OC)OC)CC1)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]1(CCC(=CC2=CC3=CC(=C(C=C3S2)OC)OC)CC1)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C24H28NO2S.BrH/c1-25(17-19-7-5-4-6-8-19)11-9-18(10-12-25)13-21-14-20-15-22(26-2)23(27-3)16-24(20)28-21;/h4-8,13-16H,9-12,17H2,1-3H3;1H/q+1;/p-1