1-hydroxyethyl-[(1E)-octadeca-1,17-dienyl]-(2-oxidanylpropyl)-(phenylmethyl)azanium

Systemtic Name: 1-hydroxyethyl-[(1E)-octadeca-1,17-dienyl]-(2-oxidanylpropyl)-(phenylmethyl)azanium Openeye Name: benzyl-(1-hydroxyethyl)-(2-hydroxypropyl)-[(1E)-octadeca-1,17-dienyl]ammonium CAS Name: 1-hydroxyethyl-(2-hydroxypropyl)-[(1E)-octadeca-1,17-dienyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(1-hydroxyethyl)-(2-hydroxypropyl)-[(1E)-octadeca-1,17-dienyl]azanium Traditional Name: benzyl-(1-hydroxyethyl)-(2-hydroxypropyl)-[(1E)-octadeca-1,17-dienyl]ammonium Formula: C30H52NO2+ MolecularWeight: 458.73938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](CC1=CC=CC=C1)(C=CCCCCCCCCCCCCCCC=C)C(C)O)O

Isomeric SMILES

CC(C[N+](CC1=CC=CC=C1)(/C=C/CCCCCCCCCCCCCCC=C)C(C)O)O

InChI

InChI=1S/C30H52NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-31(29(3)33,26-28(2)32)27-30-23-20-19-21-24-30/h4,19-25,28-29,32-33H,1,5-18,26-27H2,2-3H3/q+1/b25-22+