1-(1-dodecylpyridin-1-ium-3-yl)pentan-1-one

Systemtic Name: 1-(1-dodecylpyridin-1-ium-3-yl)pentan-1-one Openeye Name: 1-(1-dodecylpyridin-1-ium-3-yl)pentan-1-one CAS Name: 1-(1-dodecyl-3-pyridin-1-iumyl)-1-pentanone IUPAC Name: 1-(1-dodecylpyridin-1-ium-3-yl)pentan-1-one Traditional Name: 1-(1-laurylpyridin-1-ium-3-yl)pentan-1-one Formula: C22H38NO+ MolecularWeight: 332.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)CCCC

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)CCCC

InChI

InChI=1S/C22H38NO/c1-3-5-7-8-9-10-11-12-13-14-18-23-19-15-16-21(20-23)22(24)17-6-4-2/h15-16,19-20H,3-14,17-18H2,1-2H3/q+1