2-hydroxyethyl-[14-[3-(2-hydroxyphenyl)propylamino]-1-oxidanylidene-1-phenyl-tetradecan-2-yl]azanium chloride

Systemtic Name: 2-hydroxyethyl-[14-[3-(2-hydroxyphenyl)propylamino]-1-oxidanylidene-1-phenyl-tetradecan-2-yl]azanium chloride Openeye Name: [1-benzoyl-13-[3-(2-hydroxyphenyl)propylamino]tridecyl]-(2-hydroxyethyl)ammonium chloride CAS Name: 2-hydroxyethyl-[14-[3-(2-hydroxyphenyl)propylamino]-1-oxo-1-phenyltetradecan-2-yl]ammonium chloride IUPAC Name: 2-hydroxyethyl-[14-[3-(2-hydroxyphenyl)propylamino]-1-oxo-1-phenyltetradecan-2-yl]azanium chloride Traditional Name: [1-benzoyl-13-[3-(2-hydroxyphenyl)propylamino]tridecyl]-(2-hydroxyethyl)ammonium chloride Formula: C31H49ClN2O3 MolecularWeight: 533.18536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CCCCCCCCCCCCNCCCC2=CC=CC=C2O)[NH2+]CCO.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(CCCCCCCCCCCCNCCCC2=CC=CC=C2O)[NH2+]CCO.[Cl-]

InChI

InChI=1S/C31H48N2O3.ClH/c34-26-25-33-29(31(36)28-18-10-9-11-19-28)21-12-7-5-3-1-2-4-6-8-15-23-32-24-16-20-27-17-13-14-22-30(27)35;/h9-11,13-14,17-19,22,29,32-35H,1-8,12,15-16,20-21,23-26H2;1H