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

Systemtic Name: 1-(azepan-1-yl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(4,5-dimethylthiazol-3-ium-3-yl)ethanone CAS Name: 1-(1-azepanyl)-2-(4,5-dimethyl-3-thiazol-3-iumyl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(4,5-dimethylthiazol-3-ium-3-yl)ethanone Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)N2CCCCCC2)C

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)N2CCCCCC2)C

InChI

InChI=1S/C13H21N2OS/c1-11-12(2)17-10-15(11)9-13(16)14-7-5-3-4-6-8-14/h10H,3-9H2,1-2H3/q+1