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

Systemtic Name: 1-adamantyl-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl]azanium chloride Openeye Name: 1-adamantyl-[[4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl]ammonium chloride CAS Name: 1-adamantyl-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl]ammonium chloride IUPAC Name: 1-adamantyl-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl]azanium chloride Traditional Name: 1-adamantyl-[4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]ammonium chloride Formula: C20H28Cl2N2O3 MolecularWeight: 415.35392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Cl)OCC(=O)N.[Cl-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Cl)OCC(=O)N.[Cl-]

InChI

InChI=1S/C20H27ClN2O3.ClH/c1-25-17-6-15(5-16(21)19(17)26-11-18(22)24)10-23-20-7-12-2-13(8-20)4-14(3-12)9-20;/h5-6,12-14,23H,2-4,7-11H2,1H3,(H2,22,24);1H