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

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

Systemtic Name:1-octadecyl-1-(1,2-thiazin-2-ylmethyl)pyrrolidin-1-ium-2-one
Openeye Name:1-octadecyl-1-(thiazin-2-ylmethyl)pyrrolidin-1-ium-2-one
CAS Name:1-octadecyl-1-(2-thiazinylmethyl)-2-pyrrolidin-1-iumone
IUPAC Name:1-octadecyl-1-(thiazin-2-ylmethyl)pyrrolidin-1-ium-2-one
Traditional Name:1-stearyl-1-(thiazin-2-ylmethyl)pyrrolidin-1-ium-2-one
Formula: C27H49N2OS+
MolecularWeight: 449.75576
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1=O)CN2C=CC=CS2


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1=O)CN2C=CC=CS2


InChI

InChI=1S/C27H49N2OS/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/q+1


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