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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)[NH2+]CC4=CC(=C(C=C4)OCC(=O)N)OC)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)[NH2+]CC4=CC(=C(C=C4)OCC(=O)N)OC)C

InChI

InChI=1S/C22H32N2O3/c1-20-7-16-8-21(2,12-20)14-22(9-16,13-20)24-10-15-4-5-17(18(6-15)26-3)27-11-19(23)25/h4-6,16,24H,7-14H2,1-3H3,(H2,23,25)/p+1/t16?,20-,21+,22?