[(1S)-1-cyclohexyl-2-[(3S)-3-methoxycarbonyl-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]azanium chloride

Systemtic Name: [(1S)-1-cyclohexyl-2-[(3S)-3-methoxycarbonyl-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]azanium chloride Openeye Name: [(1S)-1-cyclohexyl-2-[(3S)-7-hydroxy-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]ammonium chloride CAS Name: [(1S)-1-cyclohexyl-2-[(3S)-7-hydroxy-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]ammonium chloride IUPAC Name: [(1S)-1-cyclohexyl-2-[(3S)-7-hydroxy-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]azanium chloride Traditional Name: [(1S)-2-[(3S)-3-carbomethoxy-7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclohexyl-2-keto-ethyl]ammonium chloride Formula: C19H27ClN2O4 MolecularWeight: 382.88168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CN1C(=O)C(C3CCCCC3)[NH3+])C=C(C=C2)O.[Cl-]

Isomeric SMILES

COC(=O)[C@@H]1CC2=C(CN1C(=O)[C@H](C3CCCCC3)[NH3+])C=C(C=C2)O.[Cl-]

InChI

InChI=1S/C19H26N2O4.ClH/c1-25-19(24)16-10-13-7-8-15(22)9-14(13)11-21(16)18(23)17(20)12-5-3-2-4-6-12;/h7-9,12,16-17,22H,2-6,10-11,20H2,1H3;1H/t16-,17-;/m0./s1