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

Systemtic Name: 2-adamantyl-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl]azanium chloride Openeye Name: 2-adamantyl-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl]ammonium chloride CAS Name: 2-adamantyl-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]ammonium chloride IUPAC Name: 2-adamantyl-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]azanium chloride Traditional Name: 2-adamantyl-[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]ammonium chloride Formula: C20H29ClN2O3 MolecularWeight: 380.90886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3.ClH/c1-24-18-9-12(2-3-17(18)25-11-19(21)23)10-22-20-15-5-13-4-14(7-15)8-16(20)6-13;/h2-3,9,13-16,20,22H,4-8,10-11H2,1H3,(H2,21,23);1H