dimethyl-[3-(8-methylnonoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium chloride

Systemtic Name: dimethyl-[3-(8-methylnonoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-[2-hydroxy-3-(8-methylnonoxy)propyl]-dimethyl-ammonium chloride CAS Name: [2-hydroxy-3-(8-methylnonoxy)propyl]-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[2-hydroxy-3-(8-methylnonoxy)propyl]-dimethylazanium chloride Traditional Name: benzyl-[2-hydroxy-3-(8-methylnonoxy)propyl]-dimethyl-ammonium chloride Formula: C22H40ClNO2 MolecularWeight: 386.0115

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCOCC(C[N+](C)(C)CC1=CC=CC=C1)O.[Cl-]

Isomeric SMILES

CC(C)CCCCCCCOCC(C[N+](C)(C)CC1=CC=CC=C1)O.[Cl-]

InChI

InChI=1S/C22H40NO2.ClH/c1-20(2)13-9-6-5-7-12-16-25-19-22(24)18-23(3,4)17-21-14-10-8-11-15-21;/h8,10-11,14-15,20,22,24H,5-7,9,12-13,16-19H2,1-4H3;1H/q+1;/p-1