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

Systemtic Name: (5,6-dimethoxy-1-benzothiophen-2-yl)-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]methanol bromide Openeye Name: (1-benzyl-1-methyl-piperidin-1-ium-4-yl)-(5,6-dimethoxybenzothiophen-2-yl)methanol bromide CAS Name: (5,6-dimethoxy-1-benzothiophen-2-yl)-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]methanol bromide IUPAC Name: (1-benzyl-1-methylpiperidin-1-ium-4-yl)-(5,6-dimethoxy-1-benzothiophen-2-yl)methanol bromide Traditional Name: (1-benzyl-1-methyl-piperidin-1-ium-4-yl)-(5,6-dimethoxybenzothiophen-2-yl)methanol bromide Formula: C24H30BrNO3S MolecularWeight: 492.4689

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)C(C2=CC3=CC(=C(C=C3S2)OC)OC)O)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]1(CCC(CC1)C(C2=CC3=CC(=C(C=C3S2)OC)OC)O)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C24H30NO3S.BrH/c1-25(16-17-7-5-4-6-8-17)11-9-18(10-12-25)24(26)23-14-19-13-20(27-2)21(28-3)15-22(19)29-23;/h4-8,13-15,18,24,26H,9-12,16H2,1-3H3;1H/q+1;/p-1