(3-methyl-2H-imidazol-1-yl)methyl (E)-octadec-9-enoate bromide

Systemtic Name: (3-methyl-2H-imidazol-1-yl)methyl (E)-octadec-9-enoate bromide Openeye Name: (3-methyl-2H-imidazol-1-yl)methyl (E)-octadec-9-enoate bromide CAS Name: (E)-9-octadecenoic acid (3-methyl-2H-imidazol-1-yl)methyl ester bromide IUPAC Name: (3-methyl-2H-imidazol-1-yl)methyl (E)-octadec-9-enoate bromide Traditional Name: (E)-octadec-9-enoic acid (3-methyl-4-imidazolin-1-yl)methyl ester bromide Formula: C23H42BrN2O2- MolecularWeight: 458.49578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCN1CN(C=C1)C.[Br-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCN1CN(C=C1)C.[Br-]

InChI

InChI=1S/C23H42N2O2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-22-25-20-19-24(2)21-25;/h10-11,19-20H,3-9,12-18,21-22H2,1-2H3;1H/p-1/b11-10+;