[(4S)-6-methoxy-6-oxidanylidene-4-(phenylmethyl)hexyl]azanium chloride

Systemtic Name: [(4S)-6-methoxy-6-oxidanylidene-4-(phenylmethyl)hexyl]azanium chloride Openeye Name: [(4S)-4-benzyl-6-methoxy-6-oxo-hexyl]ammonium chloride CAS Name: [(4S)-6-methoxy-6-oxo-4-(phenylmethyl)hexyl]ammonium chloride IUPAC Name: [(4S)-4-benzyl-6-methoxy-6-oxohexyl]azanium chloride Traditional Name: [(4S)-4-benzyl-6-keto-6-methoxy-hexyl]ammonium chloride Formula: C14H22ClNO2 MolecularWeight: 271.78298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCC[NH3+])CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

COC(=O)C[C@@H](CCC[NH3+])CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C14H21NO2.ClH/c1-17-14(16)11-13(8-5-9-15)10-12-6-3-2-4-7-12;/h2-4,6-7,13H,5,8-11,15H2,1H3;1H/t13-;/m0./s1