4-butyl-1-dodecyl-pyridin-1-ium chloride

Systemtic Name: 4-butyl-1-dodecyl-pyridin-1-ium chloride Openeye Name: 4-butyl-1-dodecyl-pyridin-1-ium chloride CAS Name: 4-butyl-1-dodecylpyridin-1-ium chloride IUPAC Name: 4-butyl-1-dodecylpyridin-1-ium chloride Traditional Name: 4-butyl-1-lauryl-pyridin-1-ium chloride Formula: C21H38ClN MolecularWeight: 339.98612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=C(C=C1)CCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=C(C=C1)CCCC.[Cl-]

InChI

InChI=1S/C21H38N.ClH/c1-3-5-7-8-9-10-11-12-13-14-18-22-19-16-21(17-20-22)15-6-4-2;/h16-17,19-20H,3-15,18H2,1-2H3;1H/q+1;/p-1