2-hydroxyethyl-[11-[2-(2-hydroxyphenyl)ethyl-methyl-amino]undecyl]-methyl-phenacyl-azanium chloride

Systemtic Name: 2-hydroxyethyl-[11-[2-(2-hydroxyphenyl)ethyl-methyl-amino]undecyl]-methyl-phenacyl-azanium chloride Openeye Name: 2-hydroxyethyl-[11-[2-(2-hydroxyphenyl)ethyl-methyl-amino]undecyl]-methyl-phenacyl-ammonium chloride CAS Name: 2-hydroxyethyl-[11-[2-(2-hydroxyphenyl)ethyl-methylamino]undecyl]-methyl-phenacylammonium chloride IUPAC Name: 2-hydroxyethyl-[11-[2-(2-hydroxyphenyl)ethyl-methylamino]undecyl]-methyl-phenacylazanium chloride Traditional Name: 2-hydroxyethyl-[11-[2-(2-hydroxyphenyl)ethyl-methyl-amino]undecyl]-methyl-phenacyl-ammonium chloride Formula: C31H49ClN2O3 MolecularWeight: 533.18536

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCCCCCC[N+](C)(CCO)CC(=O)C1=CC=CC=C1)CCC2=CC=CC=C2O.[Cl-]

Isomeric SMILES

CN(CCCCCCCCCCC[N+](C)(CCO)CC(=O)C1=CC=CC=C1)CCC2=CC=CC=C2O.[Cl-]

InChI

InChI=1S/C31H48N2O3.ClH/c1-32(23-21-29-19-13-14-20-30(29)35)22-15-8-6-4-3-5-7-9-16-24-33(2,25-26-34)27-31(36)28-17-11-10-12-18-28;/h10-14,17-20,34H,3-9,15-16,21-27H2,1-2H3;1H