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

Systemtic Name: 2-(4,5-dipentyl-1,3-thiazol-3-ium-3-yl)-1-(3-methyl-1-benzothiophen-2-yl)ethanone Openeye Name: 2-(4,5-dipentylthiazol-3-ium-3-yl)-1-(3-methylbenzothiophen-2-yl)ethanone CAS Name: 2-(4,5-dipentyl-3-thiazol-3-iumyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanone IUPAC Name: 2-(4,5-dipentyl-1,3-thiazol-3-ium-3-yl)-1-(3-methyl-1-benzothiophen-2-yl)ethanone Traditional Name: 2-(4,5-diamylthiazol-3-ium-3-yl)-1-(3-methylbenzothiophen-2-yl)ethanone Formula: C24H32NOS2+ MolecularWeight: 414.64698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32NOS2/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/q+1