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1-octadecyl-1-(pyrimidin-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one

1-octadecyl-1-(pyrimidin-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one

Systemtic Name:1-octadecyl-1-(pyrimidin-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one
Openeye Name:1-octadecyl-1-(pyrimidin-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one
CAS Name:1-octadecyl-1-(1-pyrimidin-1-iumylmethyl)-2-pyrrolidin-1-iumone
IUPAC Name:1-octadecyl-1-(pyrimidin-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one
Traditional Name:1-(pyrimidin-1-ium-1-ylmethyl)-1-stearyl-pyrrolidin-1-ium-2-one
Formula: C27H49N3O+2
MolecularWeight: 431.69746
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1=O)C[N+]2=CC=CN=C2


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1=O)C[N+]2=CC=CN=C2


InChI

InChI=1S/C27H49N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-30(24-18-20-27(30)31)26-29-22-19-21-28-25-29/h19,21-22,25H,2-18,20,23-24,26H2,1H3/q+2


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