3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]-1-oxidanyl-1-phenyl-1-thiophen-2-yl-propan-2-one bromide

Systemtic Name: 3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]-1-oxidanyl-1-phenyl-1-thiophen-2-yl-propan-2-one bromide Openeye Name: 1-hydroxy-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]-1-phenyl-1-(2-thienyl)propan-2-one bromide CAS Name: 1-hydroxy-3-[2-(1-methyl-1-pyrrolidin-1-iumyl)ethylamino]-1-phenyl-1-thiophen-2-yl-2-propanone bromide IUPAC Name: 1-hydroxy-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]-1-phenyl-1-thiophen-2-ylpropan-2-one bromide Traditional Name: 1-hydroxy-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethylamino]-1-phenyl-1-(2-thienyl)acetone bromide Formula: C20H27BrN2O2S MolecularWeight: 439.40958

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCNCC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O.[Br-]

Isomeric SMILES

C[N+]1(CCCC1)CCNCC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O.[Br-]

InChI

InChI=1S/C20H27N2O2S.BrH/c1-22(12-5-6-13-22)14-11-21-16-18(23)20(24,19-10-7-15-25-19)17-8-3-2-4-9-17;/h2-4,7-10,15,21,24H,5-6,11-14,16H2,1H3;1H/q+1;/p-1