N-(2-hydroxyethyl)-N-methyl-3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]propan-1-amine oxide

Systemtic Name: N-(2-hydroxyethyl)-N-methyl-3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]propan-1-amine oxide Openeye Name: N-(2-hydroxyethyl)-N-methyl-3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]propan-1-amine oxide CAS Name: N-(2-hydroxyethyl)-N-methyl-3-[[(9E,12E)-1-oxooctadeca-9,12-dienyl]amino]-1-propanamine oxide IUPAC Name: N-(2-hydroxyethyl)-N-methyl-3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]propan-1-amine oxide Traditional Name: N-(2-hydroxyethyl)-N-methyl-3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]propan-1-amine oxide Formula: C24H46N2O3 MolecularWeight: 410.63364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)NCCC[N+](C)(CCO)[O-]

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCCC[N+](C)(CCO)[O-]

InChI

InChI=1S/C24H46N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(28)25-20-18-21-26(2,29)22-23-27/h7-8,10-11,27H,3-6,9,12-23H2,1-2H3,(H,25,28)/b8-7+,11-10+