1-(5,6-dimethoxy-1-benzothiophen-2-yl)-5-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-3-oxidanyl-pentan-1-one bromide

Systemtic Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-5-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-3-oxidanyl-pentan-1-one bromide Openeye Name: 5-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)-3-hydroxy-pentan-1-one bromide CAS Name: 1-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-hydroxy-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)-3-hydroxypentan-1-one bromide Traditional Name: 5-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(5,6-dimethoxybenzothiophen-2-yl)-3-hydroxy-pentan-1-one bromide Formula: C28H36BrNO4S MolecularWeight: 562.55874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36NO4S.BrH/c1-29(19-21-7-5-4-6-8-21)13-11-20(12-14-29)9-10-23(30)17-24(31)28-16-22-15-25(32-2)26(33-3)18-27(22)34-28;/h4-8,15-16,18,20,23,30H,9-14,17,19H2,1-3H3;1H/q+1;/p-1