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hexadecyl-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]azanium chloride

hexadecyl-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]azanium chloride

Systemtic Name:hexadecyl-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]azanium chloride
Openeye Name:[(1S)-1-benzyl-2-hydroxy-ethyl]-hexadecyl-ammonium chloride
CAS Name:hexadecyl-[(2S)-1-hydroxy-3-phenylpropan-2-yl]ammonium chloride
IUPAC Name:hexadecyl-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azanium chloride
Traditional Name:[(1S)-1-benzyl-2-hydroxy-ethyl]-cetyl-ammonium chloride
Formula: C25H46ClNO
MolecularWeight: 412.09184
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH2+]C(CC1=CC=CC=C1)CO.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[NH2+][C@@H](CC1=CC=CC=C1)CO.[Cl-]


InChI

InChI=1S/C25H45NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26-25(23-27)22-24-19-16-15-17-20-24;/h15-17,19-20,25-27H,2-14,18,21-23H2,1H3;1H/t25-;/m0./s1


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