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

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-5-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]pentan-1-one bromide Openeye Name: 5-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)pentan-1-one bromide CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-5-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]-1-pentanone bromide IUPAC Name: 5-(1-benzyl-1-methylpiperidin-1-ium-4-yl)-1-(5,6-dimethoxy-1-benzothiophen-2-yl)pentan-1-one bromide Traditional Name: 5-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)pentan-1-one bromide Formula: C28H36BrNO3S MolecularWeight: 546.55934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36NO3S.BrH/c1-29(20-22-10-5-4-6-11-22)15-13-21(14-16-29)9-7-8-12-24(30)28-18-23-17-25(31-2)26(32-3)19-27(23)33-28;/h4-6,10-11,17-19,21H,7-9,12-16,20H2,1-3H3;1H/q+1;/p-1