(pyridin-3-ylcarbonylamino)methyl tetradecanoate bromide

Systemtic Name: (pyridin-3-ylcarbonylamino)methyl tetradecanoate bromide Openeye Name: (pyridine-3-carbonylamino)methyl tetradecanoate bromide CAS Name: tetradecanoic acid [[oxo(3-pyridinyl)methyl]amino]methyl ester bromide IUPAC Name: (pyridine-3-carbonylamino)methyl tetradecanoate bromide Traditional Name: myristic acid nicotinamidomethyl ester bromide Formula: C21H34BrN2O3- MolecularWeight: 442.41026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCNC(=O)C1=CN=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCNC(=O)C1=CN=CC=C1.[Br-]

InChI

InChI=1S/C21H34N2O3.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-15-20(24)26-18-23-21(25)19-14-13-16-22-17-19;/h13-14,16-17H,2-12,15,18H2,1H3,(H,23,25);1H/p-1