2-(4,5-dipentyl-1,3-thiazol-3-ium-3-yl)-1-(3-methyl-1-benzothiophen-2-yl)ethanone bromide

Systemtic Name: 2-(4,5-dipentyl-1,3-thiazol-3-ium-3-yl)-1-(3-methyl-1-benzothiophen-2-yl)ethanone bromide Openeye Name: 2-(4,5-dipentylthiazol-3-ium-3-yl)-1-(3-methylbenzothiophen-2-yl)ethanone bromide CAS Name: 2-(4,5-dipentyl-3-thiazol-3-iumyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanone bromide IUPAC Name: 2-(4,5-dipentyl-1,3-thiazol-3-ium-3-yl)-1-(3-methyl-1-benzothiophen-2-yl)ethanone bromide Traditional Name: 2-(4,5-diamylthiazol-3-ium-3-yl)-1-(3-methylbenzothiophen-2-yl)ethanone bromide Formula: C24H32BrNOS2 MolecularWeight: 494.55098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(SC=[N+]1CC(=O)C2=C(C3=CC=CC=C3S2)C)CCCCC.[Br-]

Isomeric SMILES

CCCCCC1=C(SC=[N+]1CC(=O)C2=C(C3=CC=CC=C3S2)C)CCCCC.[Br-]

InChI

InChI=1S/C24H32NOS2.BrH/c1-4-6-8-13-20-23(15-9-7-5-2)27-17-25(20)16-21(26)24-18(3)19-12-10-11-14-22(19)28-24;/h10-12,14,17H,4-9,13,15-16H2,1-3H3;1H/q+1;/p-1