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

Systemtic Name: 1-adamantyl-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl]azanium chloride Openeye Name: 1-adamantyl-[[2-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl]ammonium chloride CAS Name: 1-adamantyl-[[2-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]ammonium chloride IUPAC Name: 1-adamantyl-[[2-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]azanium chloride Traditional Name: 1-adamantyl-[2-(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=CC=CC(=C1OCC(=O)N)C[NH2+]C23CC4CC(C2)CC(C4)C3.[Cl-]

Isomeric SMILES

COC1=CC=CC(=C1OCC(=O)N)C[NH2+]C23CC4CC(C2)CC(C4)C3.[Cl-]

InChI

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