[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-[(5S,7R)-3-oxidanyl-1-adamantyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-[(5S,7R)-3-oxidanyl-1-adamantyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-[(5S,7R)-3-hydroxy-1-adamantyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[(5S,7R)-3-hydroxy-1-adamantyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[(5S,7R)-3-hydroxy-1-adamantyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-[(5S,7R)-3-hydroxy-1-adamantyl]ammonium Formula: C20H29N2O4+ MolecularWeight: 361.45526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)OCC(=O)N

InChI

InChI=1S/C20H28N2O4/c1-25-17-5-13(2-3-16(17)26-11-18(21)23)10-22-19-6-14-4-15(7-19)9-20(24,8-14)12-19/h2-3,5,14-15,22,24H,4,6-12H2,1H3,(H2,21,23)/p+1/t14-,15+,19?,20?