[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)-propan-2-yl-azanium chloride

Systemtic Name: [3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)-propan-2-yl-azanium chloride Openeye Name: [3-(4-acetylphenoxy)-2-hydroxy-propyl]-benzyl-isopropyl-ammonium chloride CAS Name: [3-(4-acetylphenoxy)-2-hydroxypropyl]-(phenylmethyl)-propan-2-ylammonium chloride IUPAC Name: [3-(4-acetylphenoxy)-2-hydroxypropyl]-benzyl-propan-2-ylazanium chloride Traditional Name: [3-(4-acetylphenoxy)-2-hydroxy-propyl]-benzyl-isopropyl-ammonium chloride Formula: C21H28ClNO3 MolecularWeight: 377.90492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CC(COC2=CC=C(C=C2)C(=O)C)O.[Cl-]

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)CC(COC2=CC=C(C=C2)C(=O)C)O.[Cl-]

InChI

InChI=1S/C21H27NO3.ClH/c1-16(2)22(13-18-7-5-4-6-8-18)14-20(24)15-25-21-11-9-19(10-12-21)17(3)23;/h4-12,16,20,24H,13-15H2,1-3H3;1H