1-octadecyl-1-(2H-1,2-thiazin-2-ium-2-ylmethyl)pyrrolidin-1-ium-2-one chloride

Systemtic Name: 1-octadecyl-1-(2H-1,2-thiazin-2-ium-2-ylmethyl)pyrrolidin-1-ium-2-one chloride Openeye Name: 1-octadecyl-1-(2H-thiazin-2-ium-2-ylmethyl)pyrrolidin-1-ium-2-one chloride CAS Name: 1-octadecyl-1-(2H-thiazin-2-ium-2-ylmethyl)-2-pyrrolidin-1-iumone chloride IUPAC Name: 1-octadecyl-1-(2H-thiazin-2-ium-2-ylmethyl)pyrrolidin-1-ium-2-one chloride Traditional Name: 1-stearyl-1-(2H-thiazin-2-ium-2-ylmethyl)pyrrolidin-1-ium-2-one chloride Formula: C27H50ClN2OS+ MolecularWeight: 486.2167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1=O)C[NH+]2C=CC=CS2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1=O)C[NH+]2C=CC=CS2.[Cl-]

InChI

InChI=1S/C27H49N2OS.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-29(24-20-21-27(29)30)26-28-22-17-19-25-31-28;/h17,19,22,25H,2-16,18,20-21,23-24,26H2,1H3;1H/q+1;