2-adamantyl-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl]azanium chloride

Systemtic Name: 2-adamantyl-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl]azanium chloride Openeye Name: 2-adamantyl-[[4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl]ammonium chloride CAS Name: 2-adamantyl-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl]ammonium chloride IUPAC Name: 2-adamantyl-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl]azanium chloride Traditional Name: 2-adamantyl-[4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]ammonium chloride Formula: C20H28Cl2N2O3 MolecularWeight: 415.35392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Cl)OCC(=O)N.[Cl-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Cl)OCC(=O)N.[Cl-]

InChI

InChI=1S/C20H27ClN2O3.ClH/c1-25-17-8-13(7-16(21)20(17)26-10-18(22)24)9-23-19-14-3-11-2-12(5-14)6-15(19)4-11;/h7-8,11-12,14-15,19,23H,2-6,9-10H2,1H3,(H2,22,24);1H