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4-methyl-1-tritriacontan-17-yl-pyridin-1-ium chloride

4-methyl-1-tritriacontan-17-yl-pyridin-1-ium chloride

Systemtic Name:4-methyl-1-tritriacontan-17-yl-pyridin-1-ium chloride
Openeye Name:1-(1-hexadecylheptadecyl)-4-methyl-pyridin-1-ium chloride
CAS Name:4-methyl-1-tritriacontan-17-ylpyridin-1-ium chloride
IUPAC Name:4-methyl-1-tritriacontan-17-ylpyridin-1-ium chloride
Traditional Name:1-(1-cetylheptadecyl)-4-methyl-pyridin-1-ium chloride
Formula: C39H74ClN
MolecularWeight: 592.46456
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)[N+]1=CC=C(C=C1)C.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)[N+]1=CC=C(C=C1)C.[Cl-]


InChI

InChI=1S/C39H74N.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(40-36-34-38(3)35-37-40)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h34-37,39H,4-33H2,1-3H3;1H/q+1;/p-1


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