tritriacontan-17-yl 1-methylpyridin-1-ium-4-carboxylate chloride

Systemtic Name: tritriacontan-17-yl 1-methylpyridin-1-ium-4-carboxylate chloride Openeye Name: 1-hexadecylheptadecyl 1-methylpyridin-1-ium-4-carboxylate chloride CAS Name: 1-methyl-4-pyridin-1-iumcarboxylic acid tritriacontan-17-yl ester chloride IUPAC Name: tritriacontan-17-yl 1-methylpyridin-1-ium-4-carboxylate chloride Traditional Name: 1-methylpyridin-1-ium-4-carboxylic acid 1-cetylheptadecyl ester chloride Formula: C40H74ClNO2 MolecularWeight: 636.47406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H74NO2.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(43-40(42)38-34-36-41(3)37-35-38)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