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

Systemtic Name: 1-adamantyl-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]ammonium Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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