[(2S)-1-[(8-methoxy-8-oxidanylidene-octanoyl)-oxidanyl-amino]-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium chloride

Systemtic Name: [(2S)-1-[(8-methoxy-8-oxidanylidene-octanoyl)-oxidanyl-amino]-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium chloride Openeye Name: [(1S)-1-[(4-benzyloxyphenyl)methyl]-2-[hydroxy-(8-methoxy-8-oxo-octanoyl)amino]ethyl]ammonium chloride CAS Name: [(2S)-1-[hydroxy-(8-methoxy-1,8-dioxooctyl)amino]-3-(4-phenylmethoxyphenyl)propan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-[hydroxy-(8-methoxy-8-oxooctanoyl)amino]-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium chloride Traditional Name: [(1S)-1-(4-benzoxybenzyl)-2-[hydroxy-(8-keto-8-methoxy-octanoyl)amino]ethyl]ammonium chloride Formula: C25H35ClN2O5 MolecularWeight: 479.0088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC(=O)N(CC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH3+])O.[Cl-]

Isomeric SMILES

COC(=O)CCCCCCC(=O)N(C[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)[NH3+])O.[Cl-]

InChI

InChI=1S/C25H34N2O5.ClH/c1-31-25(29)12-8-3-2-7-11-24(28)27(30)18-22(26)17-20-13-15-23(16-14-20)32-19-21-9-5-4-6-10-21;/h4-6,9-10,13-16,22,30H,2-3,7-8,11-12,17-19,26H2,1H3;1H/t22-;/m0./s1