1-(azepan-1-yl)-2-(4,5-dioctyl-1,3-thiazol-3-ium-3-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4,5-dioctyl-1,3-thiazol-3-ium-3-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(4,5-dioctylthiazol-3-ium-3-yl)ethanone CAS Name: 1-(1-azepanyl)-2-(4,5-dioctyl-3-thiazol-3-iumyl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4,5-dioctyl-1,3-thiazol-3-ium-3-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(4,5-dioctylthiazol-3-ium-3-yl)ethanone Formula: C27H49N2OS+ MolecularWeight: 449.75576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(SC=[N+]1CC(=O)N2CCCCCC2)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(SC=[N+]1CC(=O)N2CCCCCC2)CCCCCCCC

InChI

InChI=1S/C27H49N2OS/c1-3-5-7-9-11-15-19-25-26(20-16-12-10-8-6-4-2)31-24-29(25)23-27(30)28-21-17-13-14-18-22-28/h24H,3-23H2,1-2H3/q+1