(4-methoxyphenyl)methyl-[(E,2S)-1-oxidanyl-3-oxidanylidene-octadec-4-en-2-yl]azanium chloride

Systemtic Name: (4-methoxyphenyl)methyl-[(E,2S)-1-oxidanyl-3-oxidanylidene-octadec-4-en-2-yl]azanium chloride Openeye Name: [(E,1S)-1-(hydroxymethyl)-2-oxo-heptadec-3-enyl]-[(4-methoxyphenyl)methyl]ammonium chloride CAS Name: [(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]-[(4-methoxyphenyl)methyl]ammonium chloride IUPAC Name: [(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]-[(4-methoxyphenyl)methyl]azanium chloride Traditional Name: [(E,1S)-2-keto-1-methylol-heptadec-3-enyl]-p-anisyl-ammonium chloride Formula: C26H44ClNO3 MolecularWeight: 454.08546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(=O)C(CO)[NH2+]CC1=CC=C(C=C1)OC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(=O)[C@H](CO)[NH2+]CC1=CC=C(C=C1)OC.[Cl-]

InChI

InChI=1S/C26H43NO3.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(29)25(22-28)27-21-23-17-19-24(30-2)20-18-23;/h15-20,25,27-28H,3-14,21-22H2,1-2H3;1H/b16-15+;/t25-;/m0./s1