6-[methyl(3-oxidanylpropyl)azaniumyl]-4-oxidanyl-tricosanoate

Systemtic Name: 6-[methyl(3-oxidanylpropyl)azaniumyl]-4-oxidanyl-tricosanoate Openeye Name: 4-hydroxy-6-[3-hydroxypropyl(methyl)ammonio]tricosanoate CAS Name: 4-hydroxy-6-[3-hydroxypropyl(methyl)ammonio]tricosanoate IUPAC Name: 4-hydroxy-6-[3-hydroxypropyl(methyl)azaniumyl]tricosanoate Traditional Name: 4-hydroxy-6-[3-hydroxypropyl(methyl)ammonio]tricosanoate Formula: C27H55NO4 MolecularWeight: 457.7299

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CC(CCC(=O)[O-])O)[NH+](C)CCCO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CC(CCC(=O)[O-])O)[NH+](C)CCCO

InChI

InChI=1S/C27H55NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25(28(2)22-18-23-29)24-26(30)20-21-27(31)32/h25-26,29-30H,3-24H2,1-2H3,(H,31,32)