[(1S)-1-cyclohexyl-2-[3-(3-hydroxyphenyl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]oxy-2-oxidanylidene-ethyl]azanium chloride

Systemtic Name: [(1S)-1-cyclohexyl-2-[3-(3-hydroxyphenyl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]oxy-2-oxidanylidene-ethyl]azanium chloride Openeye Name: [(1S)-2-[2-benzyloxy-1-[(3-hydroxyphenyl)methyl]-2-oxo-ethoxy]-1-cyclohexyl-2-oxo-ethyl]ammonium chloride CAS Name: [(1S)-1-cyclohexyl-2-[3-(3-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-2-oxoethyl]ammonium chloride IUPAC Name: [(1S)-1-cyclohexyl-2-[3-(3-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]oxy-2-oxoethyl]azanium chloride Traditional Name: [(1S)-2-[2-benzoxy-1-(3-hydroxybenzyl)-2-keto-ethoxy]-1-cyclohexyl-2-keto-ethyl]ammonium chloride Formula: C24H30ClNO5 MolecularWeight: 447.9517

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)OC(CC2=CC(=CC=C2)O)C(=O)OCC3=CC=CC=C3)[NH3+].[Cl-]

Isomeric SMILES

C1CCC(CC1)[C@@H](C(=O)OC(CC2=CC(=CC=C2)O)C(=O)OCC3=CC=CC=C3)[NH3+].[Cl-]

InChI

InChI=1S/C24H29NO5.ClH/c25-22(19-11-5-2-6-12-19)24(28)30-21(15-18-10-7-13-20(26)14-18)23(27)29-16-17-8-3-1-4-9-17;/h1,3-4,7-10,13-14,19,21-22,26H,2,5-6,11-12,15-16,25H2;1H/t21?,22-;/m0./s1