butyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-(12-phenylmethoxydodecyl)azanium chloride

Systemtic Name: butyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-(12-phenylmethoxydodecyl)azanium chloride Openeye Name: 12-benzyloxydodecyl-butyl-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium chloride CAS Name: butyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-(12-phenylmethoxydodecyl)ammonium chloride IUPAC Name: butyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-(12-phenylmethoxydodecyl)azanium chloride Traditional Name: 12-benzoxydodecyl-butyl-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium chloride Formula: C32H52ClNO2 MolecularWeight: 518.21378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCCCCCCCCCCOCC1=CC=CC=C1)C(C)C(C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CCCC[NH+](CCCCCCCCCCCCOCC1=CC=CC=C1)[C@H](C)[C@H](C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C32H51NO2.ClH/c1-3-4-25-33(29(2)32(34)31-23-17-14-18-24-31)26-19-11-9-7-5-6-8-10-12-20-27-35-28-30-21-15-13-16-22-30;/h13-18,21-24,29,32,34H,3-12,19-20,25-28H2,1-2H3;1H/t29-,32-;/m1./s1