1-[(4-hexadecylpyridin-1-ium-1-yl)methyl]pyrrolidin-2-one chloride

Systemtic Name: 1-[(4-hexadecylpyridin-1-ium-1-yl)methyl]pyrrolidin-2-one chloride Openeye Name: 1-[(4-hexadecylpyridin-1-ium-1-yl)methyl]pyrrolidin-2-one chloride CAS Name: 1-[(4-hexadecyl-1-pyridin-1-iumyl)methyl]-2-pyrrolidinone chloride IUPAC Name: 1-[(4-hexadecylpyridin-1-ium-1-yl)methyl]pyrrolidin-2-one chloride Traditional Name: 1-[(4-cetylpyridin-1-ium-1-yl)methyl]-2-pyrrolidone chloride Formula: C26H45ClN2O MolecularWeight: 437.1013

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=[N+](C=C1)CN2CCCC2=O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=[N+](C=C1)CN2CCCC2=O.[Cl-]

InChI

InChI=1S/C26H45N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-25-19-22-27(23-20-25)24-28-21-16-18-26(28)29;/h19-20,22-23H,2-18,21,24H2,1H3;1H/q+1;/p-1