1,2,3-trimethyl-4-tetradecyl-pyridin-1-ium bromide

Systemtic Name: 1,2,3-trimethyl-4-tetradecyl-pyridin-1-ium bromide Openeye Name: 1,2,3-trimethyl-4-tetradecyl-pyridin-1-ium bromide CAS Name: 1,2,3-trimethyl-4-tetradecylpyridin-1-ium bromide IUPAC Name: 1,2,3-trimethyl-4-tetradecylpyridin-1-ium bromide Traditional Name: 1,2,3-trimethyl-4-myristyl-pyridin-1-ium bromide Formula: C22H40BrN MolecularWeight: 398.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C(C(=[N+](C=C1)C)C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCC1=C(C(=[N+](C=C1)C)C)C.[Br-]

InChI

InChI=1S/C22H40N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-18-19-23(4)21(3)20(22)2;/h18-19H,5-17H2,1-4H3;1H/q+1;/p-1